Molecule ID: 60208234

IUPAC Name: 2-(7-carboxyheptoxycarbonyl)benzoic acid

Description: The molecule is a phthalic acid monoester resulting from the formal condensation of one of the carboxy groups of phthalic acid with the alcoholic hydroxy group of 8-hydroxyoctanoic acid. It derives from an 8-hydroxyoctanoic acid.

SMILES: O=C(O)CCCCCCCOC(=O)c1ccccc1C(=O)O

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

InChI: InChI=1S/C16H20O6/c17-14(18)10-4-2-1-3-7-11-22-16(21)13-9-6-5-8-12(13)15(19)20/h5-6,8-9H,1-4,7,10-11H2,(H,17,18)(H,19,20)

Molecular Properties:
- Polar Surface Area: 101.0 Ų
- LogP: 3.5