Molecule ID: 9543076

IUPAC Name: 2-[(Z)-3-carboxylato-3-oxoprop-1-enyl]benzoate

Description: The molecule is dicarboxylate anion of (3Z)-4-(2-carboxyphenyl)-2-oxobut-3-enoic acid. It is a dicarboxylic acid dianion and an oxo carboxylic acid anion. It is a conjugate base of a (3Z)-4-(2-carboxyphenyl)-2-oxobut-3-enoic acid.

SMILES: O=C([O-])C(=O)/C=C\c1ccccc1C(=O)[O-]

SELFIES: [O][=C][Branch1][C][O-1][C][=Branch1][C][=O][/C][=C][\C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1]

InChI: InChI=1S/C11H8O5/c12-9(11(15)16)6-5-7-3-1-2-4-8(7)10(13)14/h1-6H,(H,13,14)(H,15,16)/p-2/b6-5-

Molecular Properties:
- Polar Surface Area: 97.3 Ų
- LogP: 2.6