Molecule ID: 54740354

IUPAC Name: 4-[(E)-2-carboxyethenyl]-2-hydroxy-6-methoxyphenolate

Description: The molecule is a monocarboxylic acid anion that is the conjugate base of 5-hydroxyferulic acid, obtained by the deprotonation of the carboxy group; major species at pH 7.3. It is a conjugate base of a 5-hydroxyferulic acid.

SMILES: COc1cc(/C=C/C(=O)O)cc([O-])c1O

SELFIES: [C][O][C][=C][C][Branch1][Branch2][/C][=C][/C][=Branch1][C][=O][O][=C][C][Branch1][C][O-1][=C][Ring1][N][O]

InChI: InChI=1S/C10H10O5/c1-15-8-5-6(2-3-9(12)13)4-7(11)10(8)14/h2-5,11,14H,1H3,(H,12,13)/p-1/b3-2+

Molecular Properties:
- Polar Surface Area: 89.8 Ų
- LogP: 1.8