Molecule ID: 54675778

IUPAC Name: (Z)-2-hydroxy-3-[(Z)-4-methyl-3-oxopent-1-enyl]but-2-enedioic acid

Description: The molecule is an oxo dicarboxylic acid that is 3-carboxy-6-oxoocta-2,4-dienoic acid carrying additional hydroxy and methyl substituents at positions 2 and 7 respectively. It is an oxo dicarboxylic acid, a 2-hydroxy carboxylic acid and an olefinic compound. It is a conjugate acid of a 2-hydroxy-3-carboxylato-6-oxo-7-methylocta-2,4-dienoate.

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

SELFIES: [C][C][Branch1][C][C][C][=Branch1][C][=O][/C][=C][\C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][Branch1][C][\O][C][=Branch1][C][=O][O]

InChI: InChI=1S/C10H12O6/c1-5(2)7(11)4-3-6(9(13)14)8(12)10(15)16/h3-5,12H,1-2H3,(H,13,14)(H,15,16)/b4-3-,8-6-

Molecular Properties:
- Polar Surface Area: 112.0 Ų
- LogP: 1.1