9-(1,3-Benzodioxol-5-Yl)-4-Hydroxy-6,7-Dimethoxynaphtho[2,3-C]Furan-1(3H)-One

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Properties Simple | Detailed

Formula C21H16O7
IUPAC Name 9-(1,3-benzodioxol-5-yl)-4-hydroxy-6,7-dimethoxy-3h-benzo[f]isobenzofuran-1-one
Molecular Mass 380.348 g·mol−1
Heat of Formation -778.4 ± 16.7 kJ·mol−1
Dipole Moment 6.87 ± 1.08 D
Volume 413.93 Å 3
Surface Area 358.18 Å 2
HOMO Energy -8.88 ± 0.55 eV
LUMO Energy -1.19 ± eV
Point Group Symmetry C1
Synonyms
  • 4-hydroxy-6,7-dimethoxy-9-[3,4-(methylenedioxy)phenyl]-naphtho[2,3-c]furan-1(3h)-one
  • 9-(1,3-benzodioxol-5-yl)-4-hydroxy-6,7-dimethoxy-3h-benzo[f][2]benzoxol-1-one
  • 9-(1,3-benzodioxol-5-yl)-4-hydroxy-6,7-dimethoxy-3h-benzo[f]isobenzofuran-1-one
  • 9-(13-benzodioxol-5-yl)-4-hydroxy-6,7-dimethoxynaphtho(2,3-c)furan-1(3h)-one
  • 9-benzo[1,3]dioxol-5-yl-4-hydroxy-6,7-dimethoxy-3h-naphtho[2,3-c]furan-1-one
  • bas 00442101
  • diphyllin
  • naphtho(2,3-c)furan-1(3h)-one, 4-hydroxy-6,7-dimethoxy-9-(3,4-(methylenedioxy)phenyl)-
  • naphtho(2,3-c)furan-1(3h)-one, 9-(1,3-benzodioxol-5-yl)-4-hydroxy-6,7-dimethoxy-
  • oprea1_135417
  • oprea1_318204
CAS Number(s)
  • 22055-22-7
InChIKey VMEJANRODATDOF-UHFFFAOYSA-N
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