2,7-Dichloro-3-Hydroxy-8-Methoxy-1,4,6,9-Tetramethyl-11H-Dibenzo[B,E][1,4]Dioxepin-11-One

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Formula C18H16Cl2O5
IUPAC Name 2,8-dichloro-9-hydroxy-3-methoxy-1,4,7,10-tetramethyl-benzo[b][1,4]benzodioxepin-6-one
Molecular Mass 383.223 g·mol−1
Heat of Formation -763.4 ± 16.7 kJ·mol−1
Dipole Moment 4.27 ± 1.08 D
Volume 401.19 Å 3
Surface Area 338.83 Å 2
HOMO Energy -9.33 ± 0.55 eV
LUMO Energy -0.93 ± eV
Point Group Symmetry C1
Synonyms
  • 11h-dibenzo(b,e)(1,4)dioxepin-11-one, 2,7-dichloro-3-hydroxy-8-methoxy-1,4,6,9-tetramethyl-
  • 2,8-dichloro-9-hydroxy-3-methoxy-1,4,7,10-tetramethyl-6-benzo[b][1,5]benzodioxepinone
  • 2,8-dichloro-9-hydroxy-3-methoxy-1,4,7,10-tetramethyl-benzo[b][1,5]benzodioxepin-6-one
  • 2,8-dichloro-9-hydroxy-3-methoxy-1,4,7,10-tetramethylbenzo[b][1,5]benzodioxepin-6-one
  • vicanicin
CAS Number(s)
  • 33211-22-2
InChIKey DJIUVCGPONSSSV-UHFFFAOYSA-N
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