Molecule ID: 10110

IUPAC Name: prop-2-ynoic acid

Description: The molecule is a terminal acetylenic compound that is a 3-carbon, straight-chain, monounsaturated fatty acid having one acetylenic bond. It has a role as a xenobiotic metabolite. It is an acetylenic fatty acid, a monounsaturated fatty acid, a short-chain fatty acid, a terminal acetylenic compound and an alpha,beta-unsaturated monocarboxylic acid. It is a conjugate acid of a propynoate.

SMILES: C#CC(=O)O

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

InChI: InChI=1S/C3H2O2/c1-2-3(4)5/h1H,(H,4,5)

Molecular Properties:
- Polar Surface Area: 37.3 Ų
- LogP: 0.3