2-Methylquinazoline-4,8-Diol

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Properties Simple | Detailed

Formula C9H8N2O2
IUPAC Name 8-hydroxy-2-methyl-1h-quinazolin-3-ium-4-one
Molecular Mass 176.172 g·mol−1
Heat of Formation -188.2 ± 16.7 kJ·mol−1
Dipole Moment 7.51 ± 1.08 D
Volume 197.03 Å 3
Surface Area 194.81 Å 2
HOMO Energy -8.98 ± 0.55 eV
LUMO Energy -0.73 ± eV
Point Group Symmetry Cs
Synonyms
  • 4(1h)-quinazolinone, 8-hydroxy-2-methyl-
  • 8-hydroxy-2-methyl-1h-quinazolin-4-one
  • 8-hydroxy-2-methyl-3-hydro-quinazolin-4-one
  • 8-hydroxy-2-methylquinazolin-4(3h)-one
  • 8-hydroxy-2-methylquinazolin-4-[3h]-one
  • 8-hydroxy-2-methylquinazolin-4[3h]-one
  • 8-hydroxy-2-methylquinazoline-4-one
  • nu 1025
  • nu 1064
  • nu-1025
  • nu1
  • nu1025
  • parp inhibitor vi, nu1025
  • tocris-1401
CAS Number(s)
  • 90417-38-2
InChIKey YJDAOHJWLUNFLX-UHFFFAOYSA-N
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