3-Methoxy-3,7-Dihydro-1H-Purine-2,6-Dione

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Properties Simple | Detailed

Formula C6H10N4O3
IUPAC Name 3-methoxy-7,8-dihydropurine-4,5,8,9-tetraide-2,6-dione
Molecular Mass 186.169 g·mol−1
Heat of Formation -183.3 ± 16.7 kJ·mol−1
Dipole Moment 4.38 ± 1.08 D
Volume 189.53 Å 3
Surface Area 185.87 Å 2
HOMO Energy -9.58 ± 0.55 eV
LUMO Energy 1.99 ± eV
Point Group Symmetry C1
Synonyms
  • 1h-purine-2,6-dione, 3,7-dihydro-3-methoxy-
  • 3-methoxy-7h-purine-2,6-dione
  • 3-methoxy-7h-purine-2,6-quinone
  • 3-methoxyxanthine
CAS Number(s)
  • 30345-91-6
InChIKey MTDDRMZQPQLXPK-UHFFFAOYSA-N
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