5-Nitro-2,4,6(1H,3H,5H)-Pyrimidinetrione

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Properties Simple | Detailed

Formula C4H3N3O5
IUPAC Name 5-nitrohexahydropyrimidine-2,4,6-trione
Molecular Mass 173.084 g·mol−1
Heat of Formation -499.9 ± 16.7 kJ·mol−1
Dipole Moment 3.01 ± 1.08 D
Volume 166.51 Å 3
Surface Area 166.21 Å 2
HOMO Energy -11.80 ± 0.55 eV
LUMO Energy -1.50 ± eV
Point Group Symmetry Cs
Synonyms
  • 2,4,6(1h,3h,5h)-pyrimidinetrione, 5-nitro-
  • 5-nitro-1,3-diazinane-2,4,6-trione
  • 5-nitro-6-hydroxyuracil
  • 5-nitrobarbituric acid
  • barbituric acid, 5-nitro-
  • oprea1_238189
CAS Number(s)
  • 480-68-2
  • 104390-34-3
  • 28176-10-5
InChIKey ABICJYZKIYUWEE-UHFFFAOYSA-N
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