Molecule ID: 16019973

IUPAC Name: 13-hydroxydocosanoate

Description: The molecule is the conjugate base of 13-hydroxydocosanoic acid. It is a hydroxy monocarboxylic acid anion and a hydroxy fatty acid anion. It derives from a behenate. It is a conjugate base of a 13-hydroxydocosanoic acid.

SMILES: CCCCCCCCCC(O)CCCCCCCCCCCC(=O)[O-]

SELFIES: [C][C][C][C][C][C][C][C][C][C][Branch1][C][O][C][C][C][C][C][C][C][C][C][C][C][C][=Branch1][C][=O][O-1]

InChI: InChI=1S/C22H44O3/c1-2-3-4-5-9-12-15-18-21(23)19-16-13-10-7-6-8-11-14-17-20-22(24)25/h21,23H,2-20H2,1H3,(H,24,25)/p-1

Molecular Properties:
- Polar Surface Area: 60.4 Ų
- LogP: 9.1