Molecule ID: 6497071

IUPAC Name: 4-(5-ethylthiophen-2-yl)-4-oxobutanoic acid

Description: The molecule is a 4-oxo monocarboxylic acid that is butyric acid bearing oxo and 5-ethyl-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: CCc1ccc(C(=O)CCC(=O)O)s1

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

InChI: InChI=1S/C10H12O3S/c1-2-7-3-5-9(14-7)8(11)4-6-10(12)13/h3,5H,2,4,6H2,1H3,(H,12,13)

Molecular Properties:
- Polar Surface Area: 82.6 Ų
- LogP: 1.9