Molecule ID: 244084

IUPAC Name: 4,7-dioxooctanoic acid

Description: The molecule is a dioxo monocarboxylic acid that is caprylic acid with the two oxo groups at the 4- and 7-positions. It has a role as a metabolite. It derives from an octanoic acid.

SMILES: CC(=O)CCC(=O)CCC(=O)O

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

InChI: InChI=1S/C8H12O4/c1-6(9)2-3-7(10)4-5-8(11)12/h2-5H2,1H3,(H,11,12)

Molecular Properties:
- Polar Surface Area: 71.4 Ų
- LogP: -0.9