8-Nitroxanthine

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Properties Simple | Detailed

Formula C5H3N5O4
IUPAC Name 8-nitro-3,7-dihydropurine-2,6-dione
Molecular Mass 197.108 g·mol−1
Heat of Formation -138.0 ± 16.7 kJ·mol−1
Dipole Moment 1.31 ± 1.08 D
Volume 187.54 Å 3
Surface Area 189.22 Å 2
HOMO Energy -10.22 ± 0.55 eV
LUMO Energy 0.88 ± eV
Point Group Symmetry Cs
Synonyms
  • 8-nitro-3,7-dihydropurine-2,6-dione
  • 8-nitro-7h-xanthine
InChIKey LXDVSSPKQAHSGS-UHFFFAOYSA-N
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