Molecule ID: 128859

IUPAC Name: 3-oxooctanoic acid

Description: The molecule is a derivative of octanoic acid carrying a beta-oxo group; a possible metabolite of 2-octynoic acid. It derives from an octanoic acid.

SMILES: CCCCCC(=O)CC(=O)O

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

InChI: InChI=1S/C8H14O3/c1-2-3-4-5-7(9)6-8(10)11/h2-6H2,1H3,(H,10,11)

Molecular Properties:
- Polar Surface Area: 54.4 Ų
- LogP: 1.6