Caffeic acid
Properties
- Molecular formula
- C9H8O4
- Molar mass
- 180.16 g/mol
- Exact mass
- 180.0423 Da
- Melting point
- 225 °C (decomposes)
- logP
- 1.20Crippen estimate
- Polar surface area
- 77.8 Ų
- H-bond donors / acceptors
- 3 / 3
- Rotatable bonds
- 2
Hazards
No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library
Identifiers
CAS number
331-39-5SMILES
O=C(O)C=Cc1ccc(O)c(O)c1InChIKey
QAIPRVGONGVQAS-UHFFFAOYSA-NInChI
InChI=1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
11 names
- 2-Propenoic acid, 3-(3,4-dihydroxyphenyl)-
- Cinnamic acid, 3,4-dihydroxy-
- 3-(3,4-Dihydroxyphenyl)-2-propenoic acid
- 3,4-Dihydroxycinnamic acid
- 3-(3,4-Dihydroxyphenyl)propenoic acid
- 4-(2-Carboxyethenyl)-1,2-dihydroxybenzene
- 4-(2′-Carboxyvinyl)-1,2-dihydroxybenzene
- 3,4-Dihydroxybenzeneacrylic acid
- NSC 57197
- NSC 623438
- DHCA
Work with Caffeic acid
Stereoisomers, salts and isotopologues
The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.
Similar compounds
Ferulic acid1135-24-666 % similar
Isoferulic acid537-73-566 % similar
Ferulic acid537-98-466 % similar
p-Phenylenediacrylic acid16323-43-666 % similar
P-Coumaric acid501-98-461 % similar
p-Coumaric acid7400-08-061 % similar
trans-3,4-Difluorocinnamic acid112897-97-958 % similar
3,4-Dichlorocinnamic acid1202-39-758 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds