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Weight180.159 g/mol
FormulaC9H8O4
Hydrogen Acceptors3
Hydrogen Donors3
Aromatic Rings1
Rotatable Bonds2

caffeic acid

caffeic acid, (E)-isomer  ·  3,4-dihydroxycinnamic acid  ·  caffeic acid, (Z)-isomer

501-16-6, 331-39-5, 71693-97-5
Score: #567 in Biochemistry , #1694 in Biology , #1995 in Chemistry
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Alternate Names

  • caffeic acid, (E)-isomer
  • 3,4-dihydroxycinnamic acid
  • caffeic acid, (Z)-isomer
  • sodium caffeate
  • caffeic acid, monosodium salt
  • SMILES
    C1=CC(=C(C=C1C=CC(=O)O)O)O
  • InChIKey
    QAIPRVGONGVQAS-UHFFFAOYSA-N

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Synthesis

glyoxylic acid  +  NSC229303 (Wittig)
4-Vinylbenzene-1,2-diol  +  Chloroformic acid (Heck terminal vinyl)
Reactant  +  dimethyl sulfide (Corey-Kim oxidation of secondary alcohols)
Synthesis of caffeic acid ›

Similar Compounds

Dihydrocaffeic acid (1078-61-1, 71693-95-3)
6 alternate names
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7-hydroxycoumarin (93-35-6)
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4-hydroxyphenylacetic acid (156-38-7)
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4-FLUORO-DL-PHENYLALANINE (60-17-3, 51-65-0)
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2,5-DIHYDROXYBENZOIC ACID (490-79-9)
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2,5-DICHLOROBENZOIC ACID (50-79-3)
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3,4-Dihydroxyphenylacetaldehyde (5707-55-1)
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4-FLUORO-L-PHENYLALANINE (60-17-3, 1132-68-9)
6 alternate names
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Fenclonine (1991-78-2, 7424-00-2)
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4-CHLOROPHENOXYACETIC ACID (122-88-3)
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2-Hydroxyphenylacetic acid (614-75-5)
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Monochlorotyrosine (7423-93-0, 7298-90-0)
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DL-o-Tyrosine (2370-61-8, 709-16-0)
6 alternate names
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2,6-DIHYDROXYBENZOIC ACID (303-07-1)
6 alternate names
3 suppliers
TEREPHTHALIC ACID (100-21-0)
6 alternate names
2 safety hazards
3 suppliers
1702-17-6 (1702-17-6)
6 alternate names
1 safety hazard
3 suppliers
Aminopyralid (150114-71-9)
6 alternate names
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BENZENESULFONIC ACID (98-11-3)
6 alternate names
2 safety hazards
3 suppliers
2,3,6-TRICHLOROBENZOIC ACID (50-31-7)
6 alternate names
2 safety hazards
3 suppliers
Chlorfenac (85-34-7)
6 alternate names
1 safety hazard
3 suppliers
PHENOXYACETIC ACID (122-59-8)
6 alternate names
3 suppliers
2,6-DICHLOROBENZOIC ACID (50-30-6)
6 alternate names
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4-Bromobenzoic acid (586-76-5)
6 alternate names
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Phenylpropiolic acid (637-44-5)
6 alternate names
3 suppliers
2,4-dichlorophenoxyacetic acid (5742-17-6, 2702-72-9, 94-75-7)
6 alternate names
7 safety hazards
3 suppliers
benzoate (65-85-0, 766-76-7)
6 alternate names
3 suppliers
Pyrogallol (87-66-1, 35296-77-6)
6 alternate names
3 safety hazards
3 suppliers
ISOPHTHALIC ACID (121-91-5)
6 alternate names
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1,2-NAPHTHOQUINONE (524-42-5)
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3,4-DICHLOROPHENYL ISOCYANATE (102-36-3)
6 alternate names
3 safety hazards
3 suppliers
2-AMINO-4-NITROPHENOL (99-57-0)
6 alternate names
3 suppliers
2-AMINO-5-NITROPHENOL (121-88-0)
6 alternate names
3 suppliers
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