2,3-Dimethoxy-12-Methyl[1,3]Benzodioxolo[5,6-C]Phenanthridin-13(12H)-One

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Properties Simple | Detailed

Formula C21H17NO5
IUPAC Name 2,3-dimethoxy-12-methyl-[1,3]benzodioxolo[5,6-c]phenanthridin-13-one
Molecular Mass 363.363 g·mol−1
Heat of Formation -461.3 ± 16.7 kJ·mol−1
Dipole Moment 0.58 ± 1.08 D
Volume 393.9 Å 3
Surface Area 350.72 Å 2
HOMO Energy -8.21 ± 0.55 eV
LUMO Energy -0.87 ± eV
Point Group Symmetry C1
Synonyms
  • (1,3)benzodioxolo(5,6-c)phenanthridin-13(12h)-one, 2,3-dimethoxy-12-methyl-
  • oxynitidine
CAS Number(s)
  • 548-31-2
InChIKey TVYBYUSEIMYSFA-UHFFFAOYSA-N
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