1,7-Dimethyl-7,9-Dihydro-1H-Purine-2,6,8(3H)-Trione

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Properties Simple | Detailed

Formula C7H10N4O3
IUPAC Name 1,7-dimethyl-3,9-dihydropurine-4,5-diide-2,6,8-trione
Molecular Mass 198.179 g·mol−1
Heat of Formation -407.3 ± 16.7 kJ·mol−1
Dipole Moment 1.65 ± 1.08 D
Volume 208.34 Å 3
Surface Area 201.05 Å 2
HOMO Energy -8.79 ± 0.55 eV
LUMO Energy -0.66 ± eV
Point Group Symmetry Cs
Synonyms
  • 1,7-dimethyl uric acid
  • 1,7-dimethyl-2,6,8-trihydroxypurine
  • 1,7-dimethyl-3,9-dihydropurine-2,6,8-trione
  • 1,7-dimethyluric acid
  • 7,9-dihydro-1,7-dimethyl-1h-purine-2,6,8(3h)-trione
CAS Number(s)
  • 33868-03-0
InChIKey NOFNCLGCUJJPKU-UHFFFAOYSA-N
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