Pyrimido[4,5-B]Quinoline-2,4(1H,3H)-Dione

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Properties Simple | Detailed

Formula C11H7N3O2++
IUPAC Name pyrimido[4,5-b]quinoline-2,4-dione
Molecular Mass 213.192 g·mol−1
Heat of Formation -141.9 ± 16.7 kJ·mol−1
Dipole Moment 4.17 ± 1.08 D
Volume 226.88 Å 3
Surface Area 219.5 Å 2
HOMO Energy -9.52 ± 0.55 eV
LUMO Energy -1.65 ± eV
Point Group Symmetry Cs
Synonyms
  • 1h-pyrimido[6,5-b]quinoline-2,4-dione
  • 1h-pyrimido[6,5-b]quinoline-2,4-quinone
  • 5-deazaflavin
  • pyrimido(4,5-b)quinoline-2,4(1h,3h)-dione
CAS Number(s)
  • 26908-38-3
InChIKey KWHWFTSHDPJOTG-UHFFFAOYSA-N
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