Molecule ID: 9543202

IUPAC Name: (Z)-4-(3-hydroxy-1-benzothiophen-2-yl)-2-oxobut-3-enoic acid

Description: The molecule is a 4-(3-hydroxy-1-benzothiophen-2-yl)-2-oxobut-3-enoic acid in which the acyclic double bond has Z-geometry. It is a conjugate acid of a cis-4-(3-hydroxy-1-benzothiophen-2-yl)-2-oxobut-3-enoate.

SMILES: O=C(O)C(=O)/C=C\c1sc2ccccc2c1O

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

InChI: InChI=1S/C12H8O4S/c13-8(12(15)16)5-6-10-11(14)7-3-1-2-4-9(7)17-10/h1-6,14H,(H,15,16)/b6-5-

Molecular Properties:
- Polar Surface Area: 103.0 Ų
- LogP: 2.5