Molecule ID: 90532

IUPAC Name: 2-hexoxycarbonylbenzoic acid

Description: The molecule is a phthalic acid monoester obtained by formal condensation of one of the carboxy groups of phthalic acid with the hydroxy group of hexanol. It derives from a hexan-1-ol.

SMILES: CCCCCCOC(=O)c1ccccc1C(=O)O

SELFIES: [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/C14H18O4/c1-2-3-4-7-10-18-14(17)12-9-6-5-8-11(12)13(15)16/h5-6,8-9H,2-4,7,10H2,1H3,(H,15,16)

Molecular Properties:
- Polar Surface Area: 63.6 Ų
- LogP: 4.2