Molecule ID: 5312930

IUPAC Name: 3-oxodocosanoic acid

Description: The molecule is the 3-oxo monocarboxylic acid which has docasanoic (behenic) acid as the parent acid. It derives from a docosanoic acid.

SMILES: CCCCCCCCCCCCCCCCCCCC(=O)CC(=O)O

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

InChI: InChI=1S/C22H42O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(23)20-22(24)25/h2-20H2,1H3,(H,24,25)

Molecular Properties:
- Polar Surface Area: 54.4 Ų
- LogP: 9.1