2-Chloro-3-Hydroxy-8-Methoxy-1,6,9-Trimethyl-11-Oxo-11H-Dibenzo[B,E][1,4]Dioxepine-4-Carbaldehyde

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Properties Simple | Detailed

Formula C18H15ClO6
IUPAC Name 8-chloro-9-hydroxy-3-methoxy-1,4,7-trimethyl-6-oxo-benzo[b][1,4]benzodioxepine-10-carbaldehyde
Molecular Mass 362.761 g·mol−1
Heat of Formation -856.8 ± 16.7 kJ·mol−1
Dipole Moment 5.53 ± 1.08 D
Volume 382.51 Å 3
Surface Area 330.41 Å 2
HOMO Energy -9.22 ± 0.55 eV
LUMO Energy -1.27 ± eV
Point Group Symmetry C1
Synonyms
  • 11h-dibenzo(b,e)(1,4)dioxepin-4-carboxaldehyde, 2-chloro-3-hydroxy-8-methoxy-1,6,9-trimethyl-11-oxo-
  • 8-chloro-9-hydroxy-3-methoxy-1,4,7-trimethyl-6-oxo-10-benzo[b][1,4]benzodioxepinecarboxaldehyde
  • 8-chloro-9-hydroxy-6-keto-3-methoxy-1,4,7-trimethyl-benzo[b][1,4]benzodioxepine-10-carbaldehyde
  • pannarin
  • pannarine
CAS Number(s)
  • 55609-84-2
InChIKey LVGKNESDSKGROR-UHFFFAOYSA-N
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