1,2,3-Propanetriol 1,3-Dinitrate

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Properties Simple | Detailed

Formula C3H6N2O7
IUPAC Name (2-hydroxy-3-nitrooxy-propyl) nitrate
Molecular Mass 182.089 g·mol−1
Heat of Formation -416.7 ± 16.7 kJ·mol−1
Dipole Moment 2.56 ± 1.08 D
Volume 181.13 Å 3
Surface Area 190.7 Å 2
HOMO Energy -11.44 ± 0.55 eV
LUMO Energy 1.85 ± eV
Point Group Symmetry C1
Synonyms
  • (2-hydroxy-3-nitrooxypropyl) nitrate
  • 1,2,3-propanetriol 1,2-dinitrate
  • 1,2,3-propanetriol, 1,3-dinitrate
  • 1,2,3-propanetriol, 1,3-dinitrate (9ci)
  • 1,3-dinitroglycerin
  • 1,3-dinitroglycerol
  • 1,3-dng
  • 1,3-glyceryl dinitrate
  • glycerol, 1,3-dinitrate
  • glycerol-1,3-dinitrate [forbidden]
  • nitric acid (2-hydroxy-3-nitrooxy-propyl) ester
CAS Number(s)
  • 623-87-0
InChIKey ASIGVDLTBLZXNC-UHFFFAOYSA-N
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