Molecule ID: 78385

IUPAC Name: 4-oxo-4-thiophen-2-ylbutanoic acid

Description: The molecule is a 4-oxo monocarboxylic acid that is butyric acid bearing oxo and 2-thienyl groups at position 4. It has a role as a hapten. It is a member of thiophenes and a 4-oxo monocarboxylic acid. It derives from a butyric acid.

SMILES: O=C(O)CCC(=O)c1cccs1

SELFIES: [O][=C][Branch1][C][O][C][C][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1]

InChI: InChI=1S/C8H8O3S/c9-6(3-4-8(10)11)7-2-1-5-12-7/h1-2,5H,3-4H2,(H,10,11)

Molecular Properties:
- Polar Surface Area: 82.6 Ų
- LogP: 0.7