Molecule ID: 54708745

IUPAC Name: 4-[(E)-2-carboxyethenyl]phenolate

Description: The molecule is a coumarate that is the conjugate base of 4-coumaric acid. It has a role as a plant metabolite. It is a conjugate base of a 4-coumaric acid.

SMILES: O=C(O)/C=C/c1ccc([O-])cc1

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

InChI: InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/p-1/b6-3+

Molecular Properties:
- Polar Surface Area: 60.4 Ų
- LogP: 2.1