Tcmdc-123469

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Properties Simple | Detailed

Formula C5H6N4O3
IUPAC Name 6-amino-1-methyl-5-nitroso-pyrimidine-2,4-dione
Molecular Mass 170.126 g·mol−1
Heat of Formation -255.5 ± 16.7 kJ·mol−1
Dipole Moment 7.76 ± 1.08 D
Volume 176.83 Å 3
Surface Area 176.25 Å 2
HOMO Energy -9.14 ± 0.55 eV
LUMO Energy -0.89 ± eV
Point Group Symmetry Cs
Synonyms
  • 6-amino-1-methyl-5-nitroso-1h-pyrimidine-2,4-dione
  • 6-amino-1-methyl-5-nitroso-pyrimidine-2,4-quinone
  • 6-amino-1-methyl-5-nitrosopyrimidine-2,4-dione
  • 6-amino-1-methyl-5-nitrosouracil
CAS Number(s)
  • 6972-78-7
InChIKey AHOWVSJPUQTRNN-UHFFFAOYSA-N
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