| Weight | 161.16 g/mol | 
|---|---|
| Formula | C9H7NO2 | 
| Hydrogen Acceptors | 2 | 
| Hydrogen Donors | 1 | 
| Aromatic Rings | 1 | 
| Rotatable Bonds | 2 | 
2-(Cyanomethyl)benzoic acid (6627-91-4)
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 LabBot
      - Model porphyrin precursors : 1,2,4,5-tetrakis(cyanomethyl)benzene, methyl 3,4,5-triacetoxybenzoate and 2-(N-phthalimidomethyl)benzoic acid (Acta Crystallographica Section C-crystal Structure Communications, 2000)
- 
            
            Predict GHS Hazards for Any Chemical in silico.
 Including Acute Oral Tox, Skin Sensitization, Eye Irritation, Aquatic Tox, & more.
- 
          SMILESC1=CC=C(C(=C1)CC#N)C(=O)O
- 
          InChIKeyAGXBHBJDSLZGAP-UHFFFAOYSA-N
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Synthesis
                
                Reactant
                
                
                 + 
                
                dimethyl sulfide 
                
                (Corey-Kim oxidation of secondary alcohols)
                 
              
              
        
            Similar Compounds
              2-Ethylbenzoic acid 
              (28134-31-8, 612-19-1)
              
          
              
                
            
        
          1  alternate name
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              2-Isopropylbenzoic acid 
              (2438-04-2)
              
          
              
                
            
        
          1  alternate name
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              2-Acetylbenzoic acid 
              (577-56-0)
              
          
              
                
            
        
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              2-Bibenzylcarboxylic Acid 
              (4890-85-1)
              
          
              
                
            
        
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              Methyl 2-ethylbenzoate 
              (50604-01-8)
              
          
              
                
            
        
          1  alternate name
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              2-tert-Butylbenzoic acid 
              (1077-58-3, 1320-16-7)
              
          
              
                
            
        
          1  alternate name
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              Homophthalic acid 
              (89-51-0)
              
          
              
                
            
        
          1  alternate name
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              methyl 2-(propan-2-yl)benzoate 
              (6623-98-9)
              
          
              
                
            
        
          1  alternate name
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              2-(2-carboxyethyl)benzoic acid 
              (776-79-4)
              
          
              
                
            
        
          1  alternate name
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              2-Cyclopropylbenzoic acid 
              (3158-74-5)
              
          
              
                
            
        
          1  alternate name
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              2-Propionylbenzoic acid 
              (2360-45-4)
              
          
              
                
            
        
          1  alternate name
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              2,4,6-Triisopropylbenzoic acid 
              (49623-71-4)
              
          
              
                
            
        
          1  alternate name
                3 suppliers
              
              2-(2-Methoxy-2-oxoethyl)benzoic acid 
              (14736-50-6)
              
          
              
                
            
        
          1  alternate name
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              2-Methylbenzoic acid 
              (118-90-1, 25567-10-6)
              
          
              
                
            
        
          1  alternate name
                3 suppliers
              
              2-(HYDROXYMETHYL)BENZOIC ACID 
              (612-20-4)
              
          
              
                
            
        
          1  alternate name
                3 suppliers
              
              2-Carboxybenzaldehyde 
              (119-67-5)
              
          
              
                
            
        
          1  alternate name
                3 suppliers
              
              4-(cyanomethyl)benzoic acid 
              (50685-26-2)
              
          
              
                
            
        
          1  alternate name
                3 suppliers
              
              2881-31-4 
              (2881-31-4)
              
          
              
                
            
        
          1  alternate name
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              33148-55-9 
              (33148-55-9)
              
          
              
                
            
        
          1  alternate name
                3 suppliers
              
              2,6-DIMETHYLBENZOIC ACID 
              (632-46-2)
              
          
              
                
            
        
          1  alternate name
                3 suppliers
              
              5,6,7,8-tetrahydronaphthalene-1-carboxylic acid 
              (4242-18-6)
              
          
              
                
            
        
          1  alternate name
                3 suppliers
              
              isochroman-1-one 
              (4702-34-5)
              
          
              
                
            
        
          1  alternate name
                3 suppliers
              
              2,4-DIMETHYLBENZOIC ACID 
              (611-01-8)
              
          
              
                
            
        
          1  alternate name
                3 suppliers
              
              2-(carboxycarbonyl)benzoic acid 
              (528-46-1)
              
          
              
                
            
        
          1  alternate name
                3 suppliers
              
              Methyl 2-(2-methoxy-2-oxoethyl)benzoate 
              (716-43-8)
              
          
              
                
            
        
          1  alternate name
                3 suppliers
              
              2-Ethylbenzaldehyde 
              (22927-13-5)
              
          
              
                
            
        
          1  alternate name
                3 suppliers
              
              Methyl o-toluate 
              (25567-11-7, 89-71-4)
              
          
              
                
            
        
          1  alternate name
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              2,4,6-TRIMETHYLBENZOIC ACID 
              (480-63-7)
              
          
              
                
            
        
          1  alternate name
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              2-(aminomethyl)benzoic acid hydrochloride 
              (10017-39-7)
              
          
              
                
            
        
          1  alternate name
                3 suppliers
              
              2,5-DIMETHYLBENZOIC ACID 
              (610-72-0)
              
          
              
                
            
        
          1  alternate name
                3 suppliers
              
              1,2,3,4,5,6,7,8-Octahydrophenanthrene-9-carboxylic acid 
              (65805-80-3)
              
          
              
                
            
        
          1  alternate name
                3 suppliers
              
              2,3-DIMETHYLBENZOIC ACID 
              (603-79-2)
              
          
              
                
            
        
          1  alternate name
                3 suppliers
              
              2-Methylterephthalic acid 
              (5156-01-4)
              
          
              
                
            
        
          1  alternate name
                3 suppliers
              
              2,4,5-TRIMETHYLBENZOIC ACID 
              (528-90-5)
              
          
              
                
            
        
          1  alternate name
                3 suppliers
              
              2,5-Dimethylterephthalic Acid 
              (6051-66-7)
              
          
              
                
            
        
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                3 suppliers
              
              53242-76-5 
              (53242-76-5)
              
          
              
                
            
        
          1  alternate name
                3 suppliers
              
              Methyl 4-(cyanomethyl)benzoate 
              (76469-88-0)
              
          
              
                
            
        
          1  alternate name
                3 suppliers
              
              4-hydroxy-2-methylbenzoic acid 
              (578-39-2)
              
          
              
                
            
        
          1  alternate name
                3 suppliers
              
              Methyl 2,6-dimethylbenzoate 
              (14920-81-1)
              
          
              
                
            
        
          1  alternate name
                3 suppliers
              
              2,3,5,6-Tetramethylbenzoic acid 
              (2604-45-7)
              
          
              
                
            
        
          1  alternate name
                3 suppliers
              
              2-Cyanobenzoic acid 
              (3839-22-3)
              
          
              
                
            
        
          1  alternate name
                3 suppliers
              
              2-(Methoxycarbonyl)benzoic acid 
              (4376-18-5)
              
          
              
                
            
        
          1  alternate name
                3 suppliers
              
              2,6-dimethylterephthalic acid 
              (80238-12-6)
              
          
              
                
            
        
          1  alternate name
                3 suppliers
              
              METHYL 2,4-DIMETHYLBENZOATE 
              (23617-71-2)
              
          
              
                
            
        
          1  alternate name
                3 suppliers
              
              2-(Chloromethyl)benzoic acid 
              (85888-81-9)
              
          
              
                
            
        
          1  alternate name
                3 suppliers
              
              4-Chloro-2-methylbenzoic acid 
              (7499-07-2)
              
          
              
                
            
        
          1  alternate name
                3 suppliers
              
              2-Isopropylbenzaldehyde 
              (55012-32-3)
              
          
              
                
            
        
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                3 suppliers
              
              4-METHYLPHTHALIC ACID 
              (4316-23-8)
              
          
              
                
            
        
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              TETRAMETHYLTEREPHTHALIC ACID 
              (14458-05-0)
              
          
              
                
            
        
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              (68837-59-2)
              
          
              
                
            
        
          1  alternate name
                3 suppliers
              
              1,2-Diacetylbenzene 
              (704-00-7)
              
          
              
                
            
        
          1  alternate name
                3 suppliers
              
              4-ETHYLBENZOIC ACID 
              (619-64-7)
              
          
              
                
            
        
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                3 suppliers
              
              2'-ETHYLACETOPHENONE 
              (2142-64-5)
              
          
              
                
            
        
          1  alternate name
                3 suppliers
              
              Magnesium monoperoxyphthalate hexahydrate 
              (84665-66-7, 78948-87-5)
              
          
              
                
            
        
          1  alternate name
                3 suppliers
              
              5-Bromo-2-methylbenzoic acid 
              (79669-49-1)
              
          
              
                
            
        
          1  alternate name
                3 suppliers
              
              5-Hydroxy-2-methylbenzoic acid 
              (578-22-3)
              
          
              
                
            
        
          1  alternate name
                3 suppliers
              
              Methyl 2,4,6-trimethylbenzoate 
              (2282-84-0)
              
          
              
                
            
        
          1  alternate name
                3 suppliers
              
              2'-METHYLACETOPHENONE 
              (26444-19-9, 577-16-2)
              
          
              
                
            
        
          1  alternate name
                3 suppliers
              
              2-Methylbenzyl cyanide 
              (22364-68-7)
              
          
              
                
            
        
          1  alternate name
                3 suppliers
              
              5-Fluoro-2-methylbenzoic acid 
              (33184-16-6)
              
          
              
                
            
        
          1  alternate name
                3 suppliers
              
              PHTHALIDE 
              (87-41-2)
              
          
              
                
            
        
          1  alternate name
                3 suppliers
              
              2-Phenethylbenzyl alcohol 
              (835-78-9)
              
          
              
                
            
        
          1  alternate name
                3 suppliers
              
              2-Methyl-1-naphthoic acid 
              (1575-96-8)
              
          
              
                
            
        
          1  alternate name
                3 suppliers
              
              4-hydroxy-2,6-dimethylbenzoic acid 
              (75056-97-2)
              
          
              
                
            
        
          1  alternate name
                3 suppliers
              
              1,2,4-Benzenetricarboxylic acid 
              (528-44-9)
              
          
              
                
            
        
          1  alternate name
                3 suppliers
              
              4-amino-2-methylbenzoic acid 
              (2486-75-1)
              
          
              
                
            
        
          1  alternate name
                3 suppliers
              
              Methyl 2,5-dimethylbenzoate 
              (13730-55-7)
              
          
              
                
            
        
          1  alternate name
                3 suppliers
              
              3-(1-Cyanoethyl)benzoic acid 
              (5537-71-3)
              
          
              
                
            
        
          1  alternate name
                3 suppliers
              
              2-[(dimethylamino)methyl]benzoic acid hydrochloride 
              (90279-38-2)
              
          
              
                
            
        
          1  alternate name
                3 suppliers
              
              1-(2-Methylphenyl)ethanol 
              (7287-82-3)
              
          
              
                
            
        
          1  alternate name
                3 suppliers
              
              1,2,3-Benzenetricarboxylic acid 
              (569-51-7)
              
          
              
                
            
        
          1  alternate name
                3 suppliers
              
              5-Chloro-2-methylbenzoic acid 
              (7499-06-1)
              
          
              
                
            
        
          1  alternate name
                3 suppliers
              
              METHYL 2,3-DIMETHYLBENZOATE 
              (15012-36-9)
              
          
              
                
            
        
          1  alternate name
                3 suppliers
              
              1,2-Phenylenediacetonitrile 
              (613-73-0)
              
          
              
                
            
        
          1  alternate name
                3 suppliers
              
              Ethyl 2,6-dimethylbenzoate 
              (36596-67-5)
              
          
              
                
            
        
          1  alternate name
                3 suppliers
              
              PHTHALAMIC ACID 
              (88-97-1)
              
          
              
                
            
        
          1  alternate name
                3 suppliers
              
              4-(2-hydroxyethyl)benzoic acid 
              (46112-46-3)
              
          
              
                
            
        
          1  alternate name
                3 suppliers
              
              4-ACETYLBENZOIC ACID 
              (586-89-0)
              
          
              
                
            
        
          1  alternate name
                3 suppliers
              
              DIETHYL PHTHALATE 
              (68988-18-1, 84-66-2)
              
          
              
                
            
        
          1  alternate name
                  3 safety hazards
                3 suppliers
              
              Ethyl 2,4-dimethylbenzoate 
              (33499-42-2)
              
          
              
                
            
        
          1  alternate name
                3 suppliers
              
              3-Hydroxy-2-methylbenzoic Acid 
              (603-80-5)
              
          
              
                
            
        
          1  alternate name
                3 suppliers
              
              4-Propylbenzoic acid 
              (2438-05-3)
              
          
              
                
            
        
          1  alternate name
                3 suppliers
              
              2-Benzylbenzoic acid 
              (612-35-1)
              
          
              
                
            
        
          1  alternate name
                3 suppliers
              
              2-Hydroxy-6-isopropyl-3-methylbenzoic acid 
              (4389-53-1)
              
          
              
                
            
        
          1  alternate name
                3 suppliers
              
              5-Bromo-2-formylbenzoic acid 
              (4785-52-8)
              
          
              
                
            
        
          1  alternate name
                3 suppliers
              
              4-(1-hydroxyethyl)benzoic acid 
              (97364-15-3)
              
          
              
                
            
        
          1  alternate name
                3 suppliers
              
              4-Isopropylbenzoic acid 
              (536-66-3)
              
          
              
                
            
        
          1  alternate name
                3 suppliers
              
              Indan-5-carboxylic acid 
              (65898-38-6)
              
          
              
                
            
        
          1  alternate name
                3 suppliers
              
              HOMOPHTHALIC ANHYDRIDE 
              (703-59-3)
              
          
              
                
            
        
          1  alternate name
                3 suppliers
              
              4-(2-Chloroethyl)benzoic acid 
              (20849-78-9)
              
          
              
                
            
        
          1  alternate name
                3 suppliers
              
              5-Iodo-2-methylbenzoic acid 
              (54811-38-0)
              
          
              
                
            
        
          1  alternate name
                3 suppliers
              
              56047-23-5 
              (56047-23-5)
              
          
              
                
            
        
          1  alternate name
                3 suppliers
              
              Methyl 2-cyanobenzoate 
              (6587-24-2)
              
          
              
                
            
        
          1  alternate name
                3 suppliers
              
              4-(2-Bromoethyl)benzoic acid 
              (52062-92-7)
              
          
              
                
            
        
          1  alternate name
                3 suppliers
              
              2-(4-Ethylbenzoyl)benzoic acid 
              (1151-14-0)
              
          
              
                
            
        
          1  alternate name
                3 suppliers
              
              4-Methoxy-2-methylbenzoic acid 
              (6245-57-4)
              
          
              
                
            
        
          1  alternate name
                3 suppliers
              
              2-(4-methylbenzyl)benzoic acid 
              (5398-16-3)
              
          
              
                
            
        
          1  alternate name
                3 suppliers
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                   2-(Cyanomethyl)benzoic acid
 2-(Cyanomethyl)benzoic acid 
                  