Molecule ID: 126843507

IUPAC Name: 2-[2-[(Z)-5-hydroxypent-2-enyl]-3-oxocyclopentyl]acetate

Description: The molecule is a hydroxy monocarboxylic acid anion that is the conjugate base of 12-hydroxyjasmonic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is a 5-oxo monocarboxylic acid anion and a hydroxy monocarboxylic acid anion.

SMILES: O=C([O-])CC1CCC(=O)C1C/C=C\CCO

SELFIES: [O][=C][Branch1][C][O-1][C][C][C][C][C][=Branch1][C][=O][C][Ring1][=Branch1][C][/C][=C][\C][C][O]

InChI: InChI=1S/C12H18O4/c13-7-3-1-2-4-10-9(8-12(15)16)5-6-11(10)14/h1-2,9-10,13H,3-8H2,(H,15,16)/p-1/b2-1-

Molecular Properties:
- Polar Surface Area: 77.4 Ų
- LogP: 1.0