4-(1,3-Benzodioxol-5-Yl)-6,7-Dimethoxynaphtho[2,3-C]Furan-1(3H)-One

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Properties Simple | Detailed

Formula C21H16O6
IUPAC Name 4-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-3h-benzo[f]isobenzofuran-1-one
Molecular Mass 364.348 g·mol−1
Heat of Formation -605.4 ± 16.7 kJ·mol−1
Dipole Moment 6.33 ± 1.08 D
Volume 402.45 Å 3
Surface Area 352.68 Å 2
HOMO Energy -9.14 ± 0.55 eV
LUMO Energy -1.21 ± eV
Point Group Symmetry C1
Synonyms
  • 4-(2h-benzo(3,4-d)1,3-dioxolan-5-yl)-6,7-dimethoxy-3-hydrobenzo(f)isobenzofuran-1-one
  • 4-(2h-benzo[3,4-d]1,3-dioxolan-5-yl)-6,7-dimethoxy-3-hydrobenzo[f]isobenzofuran-1-one
  • 9-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-1h-benzo[f][2]benzoxol-3-one
  • 9-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-1h-benzo[f]isobenzofuran-3-one
  • retrojusticidin b
CAS Number(s)
  • 82001-16-9
InChIKey TXDMVCNSUVLKHW-UHFFFAOYSA-N
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