Molecule ID: 135563779

IUPAC Name: 2-[4-oxo-5-[(Z)-pent-2-enyl]cyclopent-2-en-1-yl]acetate

Description: The molecule is a 5-oxo monocarboxylic acid anion obtained by deprotonation of the carboxy group of any diastereomer of 4,5-didehydrojasmonic acid; major species at pH 7.3.

SMILES: CC/C=C\CC1C(=O)C=CC1CC(=O)[O-]

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

InChI: InChI=1S/C12H16O3/c1-2-3-4-5-10-9(8-12(14)15)6-7-11(10)13/h3-4,6-7,9-10H,2,5,8H2,1H3,(H,14,15)/p-1/b4-3-

Molecular Properties:
- Polar Surface Area: 57.2 Ų
- LogP: 2.3