Nitro-Orotic Acid

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Properties Simple | Detailed

Formula C5H3N3O6
IUPAC Name 5-nitro-2,6-dioxo-pyrimidin-3-ium-5-ylium-4-carboxylic acid
Molecular Mass 201.094 g·mol−1
Heat of Formation -627.7 ± 16.7 kJ·mol−1
Dipole Moment 4.80 ± 1.08 D
Volume 186.96 Å 3
Surface Area 185.84 Å 2
HOMO Energy -11.12 ± 0.55 eV
LUMO Energy 0.84 ± eV
Point Group Symmetry C1
Synonyms
  • 2,6-diketo-5-nitro-3h-pyrimidine-4-carboxylic acid
  • 5-nitro-6-carboxyuracil
  • rh 00056
  • sr-01000633248-1
CAS Number(s)
  • 17687-24-0
InChIKey OPGJGRWULGFTOS-UHFFFAOYSA-N
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