7-Hydroxy-10-Methylpyrimido[4,5-B]Quinoline-2,4(3H,10H)-Dione

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Properties Simple | Detailed

Formula C12H9N3O3
IUPAC Name 7-hydroxy-10-methyl-pyrimido[4,5-b]quinolin-10-ium-1-ide-2,4-dione
Molecular Mass 243.218 g·mol−1
Heat of Formation -282.7 ± 16.7 kJ·mol−1
Dipole Moment 7.94 ± 1.08 D
Volume 260.07 Å 3
Surface Area 243.21 Å 2
HOMO Energy -9.07 ± 0.55 eV
LUMO Energy 1.07 ± eV
Point Group Symmetry Cs
Synonyms
  • 7-hydroxy-10-methyl-5-deazaisoalloxazine
  • 7-hydroxy-10-methyl-pyrimido[6,5-b]quinoline-2,4-dione
  • 7-hydroxy-10-methyl-pyrimido[6,5-b]quinoline-2,4-quinone
  • pyrimido(4,5-b)quinoline-2,4(3h,10h)-dione, 7-hydroxy-10-methyl-
CAS Number(s)
  • 73077-67-5
InChIKey RRSLPDHMIFZYOL-UHFFFAOYSA-N
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