3-Nitro-5H-Naphtho[8,1,2-Cde]Chromen-5-One

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Properties Simple | Detailed

Formula C15H7NO4
IUPAC Name 14-nitro-2-oxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),4,6,8(16),9,11(15),12-heptaen-3-one
Molecular Mass 265.220 g·mol−1
Heat of Formation -70.1 ± 16.7 kJ·mol−1
Dipole Moment 9.30 ± 1.08 D
Volume 273.27 Å 3
Surface Area 250.04 Å 2
HOMO Energy -9.55 ± 0.55 eV
LUMO Energy 1.00 ± eV
Point Group Symmetry Cs
Synonyms
  • 3-nitro-5h-phenanthro(4,5-bcd)pyran-5-one
  • 5h-phenanthro(4,5-bcd)pyran-5-one, 3-nitro-
CAS Number(s)
  • 102791-34-4
InChIKey BEIFWDGYGXCRLC-UHFFFAOYSA-N
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