5,6-Dinitrospiro(1,3-Benzodioxole-2,1'-Cyclohexane)

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Properties Simple | Detailed

Formula C12H12N2O6
IUPAC Name 5,6-dinitrospiro[1,3-benzodioxole-2,1'-cyclohexane]
Molecular Mass 280.233 g·mol−1
Heat of Formation 1420.0 ± 16.7 kJ·mol−1
Dipole Moment 10.03 ± 1.08 D
Volume 240.25 Å 3
Surface Area 212.64 Å 2
HOMO Energy -9.68 ± 0.55 eV
LUMO Energy -3.23 ± eV
Point Group Symmetry C1
Synonyms
  • 5,6-dinitrospiro(1,3-benzodioxole-2,1'-cyclohexane)
  • 5,6-dinitrospiro[1,3-benzodioxole-2,1'-cyclohexane]
  • einecs 269-421-7
  • spiro(1,3-benzodioxole-2,1'-cyclohexane), 5,6-dinitro-
CAS Number(s)
  • 68239-08-7
InChIKey FTOUDLLHVRZGEH-UHFFFAOYSA-N
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