α-[[3-(3,4-Dihydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]-3,4-dihydroxybenzenepropanoic acid
Properties
- Molecular formula
- C18H16O8
- Molar mass
- 360.32 g/mol
- Exact mass
- 360.0845 Da
- Density
- 1.547 g/mL
- Melting point
- 171–175 °C
- logP
- 1.76Crippen estimate
- Polar surface area
- 144.5 Ų
- H-bond donors / acceptors
- 5 / 7
- Rotatable bonds
- 6
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
537-15-5SMILES
O=C(C=Cc1ccc(O)c(O)c1)OC(Cc1ccc(O)c(O)c1)C(=O)OInChIKey
DOUMFZQKYFQNTF-UHFFFAOYSA-NInChI
InChI=1S/C18H16O8/c19-12-4-1-10(7-14(12)21)3-6-17(23)26-16(18(24)25)9-11-2-5-13(20)15(22)8-11/h1-8,16,19-22H,9H2,(H,24,25)Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
4 names
- Benzenepropanoic acid, α-[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]-3,4-dihydroxy-
- Cinnamic acid, 3,4-dihydroxy-, 2-ester with 3-(3,4-dihydroxyphenyl)lactic acid
- Benzenepropanoic acid, α-[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-3,4-dihydroxy-
- Lactic acid, 3-(3,4-dihydroxyphenyl)-, 3,4-dihydroxycinnamate
Work with α-[[3-(3,4-Dihydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]-3,4-dihydroxybenzenepropanoic 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
Salvianolic acid96574-01-578 % similar
Chicoric acid6537-80-070 % similar
(-)-Chicoric acid70831-56-070 % similar
Salvianolic acid D142998-47-866 % similar
Caftaric acid67879-58-765 % similar
Salvianolicacid C115841-09-363 % similar
(+)-Lithospermic acid28831-65-462 % similar
Salvianolic acid B115939-25-859 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds