2-(2-Propoxyphenyl)-3,7-Dihydro-6H-Purin-6-One

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Properties Simple | Detailed

Formula C14H14N4O2
IUPAC Name 2-(2-propoxyphenyl)-7,8-dihydro-3h-purine-1,2,4,5,8,9-hexaid-6-one
Molecular Mass 270.287 g·mol−1
Heat of Formation -20.6 ± 16.7 kJ·mol−1
Dipole Moment 5.85 ± 1.08 D
Volume 312.46 Å 3
Surface Area 288.56 Å 2
HOMO Energy -8.99 ± 0.55 eV
LUMO Energy -1.11 ± eV
Point Group Symmetry C1
Synonyms
  • 2-(2-propoxyphenyl)-3,7-dihydropurin-6-one
  • 2-(2-propoxyphenyl)-6-purinone
  • 6h-purin-6-one, 1,7-dihydro-2-(2-propoxyphenyl)-
  • sk&f 96231
  • sk&f-96231
  • skf 96231
CAS Number(s)
  • 119409-07-3
InChIKey PQTJTRTXCNZDFT-UHFFFAOYSA-N
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