Molecule ID: 1549111

IUPAC Name: (Z)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid

Description: The molecule is the cis-isomer of caffeic acid. It has a role as a plant metabolite and a human xenobiotic metabolite. It is a conjugate acid of a cis-caffeate.

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

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

InChI: InChI=1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)/b4-2-

Molecular Properties:
- Polar Surface Area: 77.8 Ų
- LogP: 1.2