Molecule ID: 610016

IUPAC Name: 3,4-bis(methoxycarbonyl)benzoic acid

Description: The molecule is a member of the class of benzoic acids that is benzoic acid substituted by methoxycarbonyl groups at positions 3 and 4 respectively. It has a role as a metabolite. It is a benzoate ester and a member of benzoic acids.

SMILES: COC(=O)c1ccc(C(=O)O)cc1C(=O)OC

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

InChI: InChI=1S/C11H10O6/c1-16-10(14)7-4-3-6(9(12)13)5-8(7)11(15)17-2/h3-5H,1-2H3,(H,12,13)

Molecular Properties:
- Polar Surface Area: 89.9 Ų
- LogP: 1.1