Molecule ID: 52940145

IUPAC Name: 22-oxodocosanoic acid

Description: The molecule is a long-chain oxo-fatty acid that is the 22-oxo derivative of docosanoic acid. It is a long-chain fatty acid, an aldehydic acid and an omega-oxo fatty acid. It derives from a docosanoic acid. It is a conjugate acid of a 22-oxodocosanoate.

SMILES: O=CCCCCCCCCCCCCCCCCCCCCC(=O)O

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

InChI: InChI=1S/C22H42O3/c23-21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-22(24)25/h21H,1-20H2,(H,24,25)

Molecular Properties:
- Polar Surface Area: 54.4 Ų
- LogP: 7.8