Molecule ID: 72551565

IUPAC Name: 3,12-dihydroxydodecanoate

Description: The molecule is an omega-hydroxy fatty acid anion that is the conjugate base of 3,12-dihydroxylauric acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is an omega-hydroxy fatty acid anion and a medium-chain fatty acid anion. It derives from a dodecanoate. It is a conjugate base of a 3,12-dihydroxylauric acid.

SMILES: O=C([O-])CC(O)CCCCCCCCCO

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

InChI: InChI=1S/C12H24O4/c13-9-7-5-3-1-2-4-6-8-11(14)10-12(15)16/h11,13-14H,1-10H2,(H,15,16)/p-1

Molecular Properties:
- Polar Surface Area: 80.6 Ų
- LogP: 2.7