(4R)-4-Hydroxy-6-Oxo-1-Cyclohexen-1-Yl Benzoate

Molecule SVG Image

Properties Simple | Detailed

Formula C13H12O4
IUPAC Name [(4r)-4-hydroxy-6-oxo-cyclohexen-1-yl] benzoate
Molecular Mass 232.232 g·mol−1
Heat of Formation -534.1 ± 16.7 kJ·mol−1
Dipole Moment 3.41 ± 1.08 D
Volume 266.51 Å 3
Surface Area 247.76 Å 2
HOMO Energy -10.17 ± 0.55 eV
LUMO Energy -0.71 ± eV
Point Group Symmetry C1
Synonyms
  • 2-cyclohexen-1-one, 2-(benzoyloxy)-5-hydroxy-, (r)-
  • 3,2-o-benzoyl-5-hydroxycyclohexanone
  • [(4r)-4-hydroxy-6-oxo-1-cyclohexenyl] benzoate
  • benzoic acid [(4r)-4-hydroxy-6-keto-1-cyclohexenyl] ester
  • benzoic acid [(4r)-4-hydroxy-6-oxo-1-cyclohexenyl] ester
  • mi 619
  • mi-619
CAS Number(s)
  • 133683-50-8
InChIKey RQVSANHJWDIJET-SNVBAGLBSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O