10-Methylpyrimido[4,5-B]Quinoline-2,4,8(1H,3H,10H)-Trione

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Properties Simple | Detailed

Formula C12H9N3O3
IUPAC Name 10-methyl-1h-pyrimido[4,5-b]quinoline-2,4,8-trione
Molecular Mass 243.218 g·mol−1
Heat of Formation -280.6 ± 16.7 kJ·mol−1
Dipole Moment 4.32 ± 1.08 D
Volume 260.36 Å 3
Surface Area 242.39 Å 2
HOMO Energy -8.85 ± 0.55 eV
LUMO Energy -1.76 ± eV
Point Group Symmetry C1
Synonyms
  • 10-methyl-1h-pyrimido[6,5-b]quinoline-2,4,8-trione
  • 8-hydroxy-10-methyl-5-deazaisoalloxazine
  • pyrimido(4,5-b)quinoline-2,4(3h,10h)-dione, 8-hydroxy-10-methyl-
CAS Number(s)
  • 73077-68-6
InChIKey CRCOWBHLRIKIGR-UHFFFAOYSA-N
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