Molecule ID: 54694258

IUPAC Name: 3-[(E)-2-carboxyethenyl]phenolate

Description: The molecule is a 3-coumarate that is the conjugate base of trans-3-coumaric acid. It has a role as a human xenobiotic metabolite and a plant metabolite. It is a conjugate base of a trans-3-coumaric acid.

SMILES: O=C(O)/C=C/c1cccc([O-])c1

SELFIES: [O][=C][Branch1][C][O][/C][=C][/C][=C][C][=C][C][Branch1][C][O-1][=C][Ring1][#Branch1]

InChI: InChI=1S/C9H8O3/c10-8-3-1-2-7(6-8)4-5-9(11)12/h1-6,10H,(H,11,12)/p-1/b5-4+

Molecular Properties:
- Polar Surface Area: 60.4 Ų
- LogP: 2.2