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

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Properties Simple | Detailed

Formula C7H10N4O3
IUPAC Name 3,7-dimethyl-9h-purine-4,5-diide-2,6,8-trione
Molecular Mass 198.179 g·mol−1
Heat of Formation -410.4 ± 16.7 kJ·mol−1
Dipole Moment 2.95 ± 1.08 D
Volume 208.73 Å 3
Surface Area 201.26 Å 2
HOMO Energy -8.74 ± 0.55 eV
LUMO Energy -0.66 ± eV
Point Group Symmetry Cs
Synonyms
  • 1h-purine-2,6,8(3h)-trione, 7,9-dihydro-3,7-dimethyl-
  • 3,7-dimethyl-2,6,8-trihydroxypurine
  • 3,7-dimethyl-9h-purine-2,6,8-trione
  • 3,7-dimethyluric acid
  • 3,7-dmu
CAS Number(s)
  • 13087-49-5
InChIKey HMLZLHKHNBLLJD-UHFFFAOYSA-N
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