Molecule ID: 54707974

IUPAC Name: 4-carboxy-2-hydroxy-6-methoxyphenolate

Description: The molecule is a member of the class of benzoates that results from the removal of a proton from the carboxylic acid group of 3-O-methylgallic acid. It derives from a gallate. It is a conjugate base of a 3-O-methylgallic acid.

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

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

InChI: InChI=1S/C8H8O5/c1-13-6-3-4(8(11)12)2-5(9)7(6)10/h2-3,9-10H,1H3,(H,11,12)/p-1

Molecular Properties:
- Polar Surface Area: 89.8 Ų
- LogP: 1.4