| Weight | 153.137 g/mol |
|---|---|
| Formula | C7H7NO3 |
| Hydrogen Acceptors | 3 |
| Hydrogen Donors | 1 |
| Aromatic Rings | 1 |
| Rotatable Bonds | 2 |
(1-Methyl-1H-pyrrol-2-yl)(oxo)acetic acid (21898-43-1)
21898-43-1
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Predict GHS Hazards for Any Chemical in silico.
Including Acute Oral Tox, Skin Sensitization, Eye Irritation, Aquatic Tox, & more. - 21898-43-1
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SMILESCN1C=CC=C1C(=O)C(=O)O
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InChIKeyQFNZDWKDZWPYCB-UHFFFAOYSA-N
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Safety
Alternate Names
Estimated Properties
| Boiling Point | 262.41 C | EPA T.E.S.T. |
|---|---|---|
| Boiling Point | 300.23 C | EPI Suite |
| Density | 1.23 g/cm3 | EPA T.E.S.T. |
| Flash Point | 173.64 C | EPA T.E.S.T. |
| Melting Point | 93.92 C | EPI Suite |
| Water Solubility | 61776.3 mg/L | EPA T.E.S.T. |
| Water Solubility | 223860 mg/L | EPI Suite |
External Links
Synthesis
Reactant
+
dimethyl sulfide
(Corey-Kim oxidation of secondary alcohols)
Similar Compounds
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2-Oxo-2-(pyridin-3-yl)acetic acid
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oxo(3-pyridinyl)acetic acid hydrate
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1-methyl-5-phenyl-1H-pyrrole-2-carboxylic acid
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potassium 4-morpholinyl(2-pyridinyl)acetate
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1,5-Dimethyl-1H-indole-2-carboxylic acid
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Piperidin-3-yl(pyridin-2-yl)methanone
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6-isopropyl-1-methyl-2-oxo-1,2-dihydro-3-pyridinecarboxylic acid
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6-chloro-1-methyl-1H-indole-2-carboxylic acid
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(131172-66-2)
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6-Methyl-2,3,4,9-tetrahydro-1H-carbazol-1-one
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(1-Methyl-1H-pyrrol-2-yl)(oxo)acetic acid
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