Molecule ID: 506057

IUPAC Name: 4-carbamoylbenzoic acid

Description: The molecule is a dicarboxylic acid monoamide resulting from the formal condensation of one of the carboxy groups of terephthalic acid with ammonia. It is a carbamoylbenzoic acid and a dicarboxylic acid monoamide. It derives from a terephthalic acid.

SMILES: NC(=O)c1ccc(C(=O)O)cc1

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

InChI: InChI=1S/C8H7NO3/c9-7(10)5-1-3-6(4-2-5)8(11)12/h1-4H,(H2,9,10)(H,11,12)

Molecular Properties:
- Polar Surface Area: 80.4 Ų
- LogP: 1.3