Molecule ID: 5280688

IUPAC Name: (E)-2-[(E)-2-hydroxyethenyl]-4-oxopent-2-enedioic acid

Description: The molecule is a carboxy-2-hydroxymuconate semialdehyde having the carboxy group at the 4-position and the aldehyde functijon at the 6-position. It is a conjugate acid of a 4-carboxy-2-hydroxy-cis,cis-muconate 6-semialdehyde(2-).

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

SELFIES: [O][=C][Branch1][C][O][C][=Branch1][C][=O][/C][=C][Branch1][Ring2][\C][=C][\O][C][=Branch1][C][=O][O]

InChI: InChI=1S/C7H6O6/c8-2-1-4(6(10)11)3-5(9)7(12)13/h1-3,8H,(H,10,11)(H,12,13)/b2-1+,4-3+

Molecular Properties:
- Polar Surface Area: 112.0 Ų
- LogP: -0.5