Molecule ID: 19829

IUPAC Name: 3,4-dihydroxy-5-methoxybenzoic acid

Description: The molecule is a member of the class of benzoic acids that is gallic acid in which the phenolic hydroxy group at position 3 is converted into the corresponding methyl ether. It is a member of catechols and a member of benzoic acids. It derives from a gallic acid. It is a conjugate acid of a 3-O-methylgallate.

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][=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)

Molecular Properties:
- Polar Surface Area: 87.0 Ų
- LogP: 0.7