Molecule ID: 7121

IUPAC Name: 3,4-dimethoxybenzoic acid

Description: The molecule is a member of the class of benzoic acids that is benzoic acid substituted by methoxy groups at positions 2 and 3. It has a role as a plant metabolite and an allergen. It derives from a hydride of a benzoic acid.

SMILES: COc1ccc(C(=O)O)cc1OC

SELFIES: [C][O][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][=Branch2][O][C]

InChI: InChI=1S/C9H10O4/c1-12-7-4-3-6(9(10)11)5-8(7)13-2/h3-5H,1-2H3,(H,10,11)

Molecular Properties:
- Polar Surface Area: 55.8 Ų
- LogP: 1.6