Molecule ID: 689075

IUPAC Name: methyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate

Description: The molecule is an alkyl caffeate ester formed by the formal condensation of caffeic acid with methyl alcohol. It is an alkyl caffeate ester and a methyl ester.

SMILES: COC(=O)/C=C/c1ccc(O)c(O)c1

SELFIES: [C][O][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][Branch1][C][O][C][Branch1][C][O][=C][Ring1][Branch2]

InChI: InChI=1S/C10H10O4/c1-14-10(13)5-3-7-2-4-8(11)9(12)6-7/h2-6,11-12H,1H3/b5-3+

Molecular Properties:
- Polar Surface Area: 66.8 Ų
- LogP: 1.5