Molecule ID: 75318

IUPAC Name: 2-ethoxycarbonylbenzoic acid

Description: The molecule is a phthalic acid monoester resulting from the condensation of one of the carboxy groups of phthalic acid with ethanol. It has a role as a metabolite. It is an ethyl ester and a phthalic acid monoester.

SMILES: CCOC(=O)c1ccccc1C(=O)O

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

InChI: InChI=1S/C10H10O4/c1-2-14-10(13)8-6-4-3-5-7(8)9(11)12/h3-6H,2H2,1H3,(H,11,12)

Molecular Properties:
- Polar Surface Area: 63.6 Ų
- LogP: 1.8