Molecule ID: 75704

IUPAC Name: 9-oxononanoic acid

Description: The molecule is a medium-chain oxo-fatty acid that is the 9-oxo derivative of nonanoic acid. It has a role as an EC 6.4.1.2 (acetyl-CoA carboxylase) inhibitor. It is an aldehydic acid, an omega-oxo fatty acid and a medium-chain fatty acid. It derives from a nonanoic acid. It is a conjugate acid of a 9-oxononanoate.

SMILES: O=CCCCCCCCC(=O)O

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

InChI: InChI=1S/C9H16O3/c10-8-6-4-2-1-3-5-7-9(11)12/h8H,1-7H2,(H,11,12)

Molecular Properties:
- Polar Surface Area: 54.4 Ų
- LogP: 1.5