[(4R)-4-Acetoxy-5-Oxo-4,5-Dihydro-3-Oxepinyl]Methyl Benzoate

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Properties Simple | Detailed

Formula C16H14O6
IUPAC Name [(4r)-4-acetoxy-5-oxo-4h-oxepin-3-yl]methyl benzoate
Molecular Mass 302.279 g·mol−1
Heat of Formation -780.5 ± 16.7 kJ·mol−1
Dipole Moment 2.82 ± 1.08 D
Volume 339.93 Å 3
Surface Area 285.72 Å 2
HOMO Energy -9.71 ± 0.55 eV
LUMO Energy -0.47 ± eV
Point Group Symmetry C1
Synonyms
  • [(4r)-4-acetoxy-5-oxo-4h-oxepin-3-yl]methyl benzoate
  • [(4r)-4-acetyloxy-5-oxo-4h-oxepin-3-yl]methyl benzoate
  • benzoic acid [(4r)-4-acetoxy-5-keto-4h-oxepin-3-yl]methyl ester
  • benzoic acid [(4r)-4-acetoxy-5-oxo-4h-oxepin-3-yl]methyl ester
  • grandiuvarone a
InChIKey WSNISKVPPPGLFK-OAHLLOKOSA-N
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Elements H C O