Molecule ID: 10176360

IUPAC Name: (E)-3-(3,4-dioxocyclohexa-1,5-dien-1-yl)prop-2-enoic acid

Description: The molecule is an alpha,beta-unsaturated monocarboxylic acid that is acrylic acid in which one of the olefinic hydrogens at position 3 has been replaced by a 3,4-dioxocyclohexa-1,5-dien-1-yl group. It has a role as a plant metabolite. It is an alpha,beta-unsaturated monocarboxylic acid and a member of 1,2-benzoquinones. It derives from an acrylic acid.

SMILES: O=C(O)/C=C/C1=CC(=O)C(=O)C=C1

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

InChI: InChI=1S/C9H6O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5H,(H,12,13)/b4-2+

Molecular Properties:
- Polar Surface Area: 71.4 Ų
- LogP: -0.1