Molecule ID: 8357

IUPAC Name: 3,4,5-trimethoxybenzoic acid

Description: The molecule is a benzoic acid derivative carrying 3-, 4- and 5-methoxy substituents. It has a role as a plant metabolite. It is a member of benzoic acids and a member of methoxybenzenes. It derives from a benzoic acid. It is a conjugate acid of a 3,4,5-trimethoxybenzoate.

SMILES: COc1cc(C(=O)O)cc(OC)c1OC

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

InChI: InChI=1S/C10H12O5/c1-13-7-4-6(10(11)12)5-8(14-2)9(7)15-3/h4-5H,1-3H3,(H,11,12)

Molecular Properties:
- Polar Surface Area: 65.0 Ų
- LogP: 1.4