Molecule ID: 53873839

IUPAC Name: (3R,4R)-3,4-dihydroxycyclohexa-1,5-diene-1-carboxylic acid

Description: The molecule is a cyclohexadienecarboxylic acid that is cyclohexa-1,5-diene-1-carboxylic acid carrying two hydroxy substituents at positions 3 and 4 (the 3R,4R-stereoisomer). It is a cyclohexadienecarboxylic acid, a cyclohexadienediol and an alpha,beta-unsaturated monocarboxylic acid. It is a conjugate acid of a (3R,4R)-3,4-dihydroxycyclohexa-1,5-diene-1-carboxylate.

SMILES: O=C(O)C1=C[C@@H](O)[C@H](O)C=C1

SELFIES: [O][=C][Branch1][C][O][C][=C][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C][=C][Ring1][Branch2]

InChI: InChI=1S/C7H8O4/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,5-6,8-9H,(H,10,11)/t5-,6-/m1/s1

Molecular Properties:
- Polar Surface Area: 77.8 Ų
- LogP: -0.8