(1R,6R)-2-(3-Carboxypropanoyl)-6-Hydroxy-2,4-Cyclohexadiene-1-Carboxylic Acid

Molecule SVG Image

Properties Simple | Detailed

Formula C11H12O6
IUPAC Name (1r,6r)-2-(3-carboxypropanoyl)-6-hydroxy-cyclohexa-2,4-diene-1-carboxylic acid
Molecular Mass 240.209 g·mol−1
Heat of Formation -1024.4 ± 16.7 kJ·mol−1
Dipole Moment 2.86 ± 1.08 D
Volume 274.14 Å 3
Surface Area 240.52 Å 2
HOMO Energy -9.96 ± 0.55 eV
LUMO Energy -0.77 ± eV
Point Group Symmetry C1
Synonyms
  • (1r,6r)-6-hydroxy-2-(4-hydroxy-1,4-dioxobutyl)-1-cyclohexa-2,4-dienecarboxylic acid
  • (1r,6r)-6-hydroxy-2-(4-hydroxy-4-keto-butanoyl)cyclohexa-2,4-diene-1-carboxylic acid
  • (1r,6r)-6-hydroxy-2-(4-hydroxy-4-oxo-butanoyl)cyclohexa-2,4-diene-1-carboxylic acid
  • (1r,6r)-6-hydroxy-2-(4-hydroxy-4-oxobutanoyl)cyclohexa-2,4-diene-1-carboxylic acid
  • 2-(3-carboxypropionyl)-6-hydroxy-cyclohexa-2,4-diene carboxylic acid
InChIKey QJYRAJSESKVEAE-PSASIEDQSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O