Molecule ID: 441234

IUPAC Name: 2-(2,2,3-trimethyl-5-oxocyclopent-3-en-1-yl)acetic acid

Description: The molecule is a 4-oxo monocarboxylic acid that is acetic acid in which one of the methyl hydrogens is substituted by a 2,2,3-trimethyl-5-oxocyclopent-3-en-1-yl group. It is a 4-oxo monocarboxylic acid and a cyclic ketone. It derives from an acetic acid. It is a conjugate acid of a (2,2,3-trimethyl-5-oxocyclopent-3-en-1-yl)acetate.

SMILES: CC1=CC(=O)C(CC(=O)O)C1(C)C

SELFIES: [C][C][=C][C][=Branch1][C][=O][C][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][Ring1][#Branch2][Branch1][C][C][C]

InChI: InChI=1S/C10H14O3/c1-6-4-8(11)7(5-9(12)13)10(6,2)3/h4,7H,5H2,1-3H3,(H,12,13)

Molecular Properties:
- Polar Surface Area: 54.4 Ų
- LogP: 0.9