3-Hydroxy-1-Methyl-3,7-Dihydro-1H-Purine-2,6-Dione

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Properties Simple | Detailed

Formula C6H10N4O3
IUPAC Name 3-hydroxy-1-methyl-7,8-dihydropurine-4,5,8,9-tetraide-2,6-dione
Molecular Mass 186.169 g·mol−1
Heat of Formation -189.4 ± 16.7 kJ·mol−1
Dipole Moment 3.29 ± 1.08 D
Volume 187.08 Å 3
Surface Area 185.17 Å 2
HOMO Energy -9.65 ± 0.55 eV
LUMO Energy 1.97 ± eV
Point Group Symmetry C1
Synonyms
  • 3,7-dihydro-3-hydroxy-1-methyl-1h-purine-2,6-dione
  • 3-hydroxy-1-methyl-7h-purine-2,6-dione
  • 3-hydroxy-1-methyl-7h-purine-2,6-quinone
  • 3-hydroxy-1-methylxanthine
CAS Number(s)
  • 14002-16-5
InChIKey GCEOAXRRWCDSIV-UHFFFAOYSA-N
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