Molecule ID: 5156745

IUPAC Name: 2-heptan-2-yloxycarbonylbenzoic 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 2-heptanol.

SMILES: CCCCCC(C)OC(=O)c1ccccc1C(=O)O

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

InChI: InChI=1S/C15H20O4/c1-3-4-5-8-11(2)19-15(18)13-10-7-6-9-12(13)14(16)17/h6-7,9-11H,3-5,8H2,1-2H3,(H,16,17)

Molecular Properties:
- Polar Surface Area: 63.6 Ų
- LogP: 3.7