5-Nitropyrimidine-2,4-Diol

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Properties Simple | Detailed

Formula C4H3N3O4++
IUPAC Name 5-nitropyrimidin-1-ium-5-ylium-2,4-dione
Molecular Mass 157.084 g·mol−1
Heat of Formation -304.3 ± 16.7 kJ·mol−1
Dipole Moment 5.42 ± 1.08 D
Volume 151.48 Å 3
Surface Area 157.22 Å 2
HOMO Energy -10.95 ± 0.55 eV
LUMO Energy -1.81 ± eV
Point Group Symmetry Cs
Synonyms
  • 2,4(1h,3h)-pyrimidinedione, 5-nitro-
  • 2,4-dihydroxy-5-nitropyrimidine
  • 5-nitro-1h-pyrimidine-2,4-dione
  • 5-nitrouracil
  • ag-670/31547031
  • sr-01000390728-2
  • uracil, 5-nitro-
CAS Number(s)
  • 611-08-5
InChIKey TUARVSWVPPVUGS-UHFFFAOYSA-N
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