(2S,5E)-2-Hydroxy-7-Methoxy-4,7-Dioxo-5-Hepten-1-Yl Benzoate

Molecule SVG Image

Properties Simple | Detailed

Formula C15H16O6
IUPAC Name [(e,2s)-2-hydroxy-7-methoxy-4,7-dioxo-hept-5-enyl] benzoate
Molecular Mass 292.284 g·mol−1
Heat of Formation -915.6 ± 16.7 kJ·mol−1
Dipole Moment 4.99 ± 1.08 D
Volume 339.53 Å 3
Surface Area 294.73 Å 2
HOMO Energy -10.14 ± 0.55 eV
LUMO Energy -1.21 ± eV
Point Group Symmetry C1
Synonyms
  • 2-heptenoic acid, 7-(benzoyloxy)-6-hydroxy-4-oxo-, methyl ester, (s-(e))-
  • 7-hydroxy-6-hydromelodienone
  • [(e,2s)-2-hydroxy-7-methoxy-4,7-dioxo-hept-5-enyl] benzoate
  • [(e,2s)-2-hydroxy-7-methoxy-4,7-dioxohept-5-enyl] benzoate
  • benzoic acid [(e,2s)-2-hydroxy-4,7-diketo-7-methoxy-hept-5-enyl] ester
  • benzoic acid [(e,2s)-2-hydroxy-7-methoxy-4,7-dioxohept-5-enyl] ester
  • methyl (s-(e))-7-(benzoyloxy)-6-hydroxy-4-oxo-2-heptenoate
CAS Number(s)
  • 135626-21-0
InChIKey DLQZZFILZYWBJV-GWJCSSMESA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O