Molecule ID: 12723731

IUPAC Name: 2-hydroxy-2-phenyl-2-thiophen-2-ylacetic acid

Description: The molecule is a 2-hydroxy monocarboxylic acid that is phenylacetic acid bearing hydroxy and 2-thenyl substituents at position 2. It has a role as a hapten. It is a member of thiophenes and a 2-hydroxy monocarboxylic acid. It derives from an acetic acid.

SMILES: O=C(O)C(O)(c1ccccc1)c1cccs1

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

InChI: InChI=1S/C12H10O3S/c13-11(14)12(15,10-7-4-8-16-10)9-5-2-1-3-6-9/h1-8,15H,(H,13,14)

Molecular Properties:
- Polar Surface Area: 85.8 Ų
- LogP: 2.0