Molecule ID: 10742

IUPAC Name: 4-hydroxy-3,5-dimethoxybenzoic acid

Description: The molecule is a dimethoxybenzene that is 3,5-dimethyl ether derivative of gallic acid. It has a role as a plant metabolite. It is a member of benzoic acids, a dimethoxybenzene and a member of phenols. It derives from a gallic acid. It is a conjugate acid of a syringate.

SMILES: COc1cc(C(=O)O)cc(OC)c1O

SELFIES: [C][O][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][C][Branch1][Ring1][O][C][=C][Ring1][O][O]

InChI: InChI=1S/C9H10O5/c1-13-6-3-5(9(11)12)4-7(14-2)8(6)10/h3-4,10H,1-2H3,(H,11,12)

Molecular Properties:
- Polar Surface Area: 76.0 Ų
- LogP: 1.0