Peroxypropionyl Nitrate

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Properties Simple | Detailed

Formula C3H5NO5
IUPAC Name nitro propaneperoxoate
Molecular Mass 135.075 g·mol−1
Heat of Formation -239.1 ± 16.7 kJ·mol−1
Dipole Moment 3.90 ± 1.08 D
Volume 139.6 Å 3
Surface Area 155.62 Å 2
HOMO Energy -11.46 ± 0.55 eV
LUMO Energy -1.73 ± eV
Point Group Symmetry Cs
Synonyms
  • peroxide, nitro 1-oxopropyl
  • peroxypropionic acid nitro ester
  • popn
  • propaneperoxoic acid nitro ester
CAS Number(s)
  • 5796-89-4
InChIKey TXINBPKSWKFMNB-UHFFFAOYSA-N
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