4,6,7-Trimethyl-1,4-Dihydro-9H-Imidazo[1,2-A]Purin-9-One

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Properties Simple | Detailed

Formula C10H11N5O
IUPAC Name 4,6,7-trimethylimidazo[1,2-a]purine-1,4,8-triium-9a-ylium-9-one
Molecular Mass 217.227 g·mol−1
Heat of Formation 122.4 ± 16.7 kJ·mol−1
Dipole Moment 2.75 ± 1.08 D
Volume 243.98 Å 3
Surface Area 231.54 Å 2
HOMO Energy -8.26 ± 0.55 eV
LUMO Energy -0.65 ± eV
Point Group Symmetry C1
Synonyms
  • 4,6,7-trimethyl-1h-imidazo[1,2-a]purin-9-one
  • 7-methylwye
CAS Number(s)
  • 96881-39-9
InChIKey KKLICVWZFMVCEV-UHFFFAOYSA-N
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