4-Quinazolinol

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Properties Simple | Detailed

Formula C8H6N2O
IUPAC Name 1h-quinazolin-3-ium-4-one
Molecular Mass 146.146 g·mol−1
Heat of Formation 36.2 ± 16.7 kJ·mol−1
Dipole Moment 6.95 ± 1.08 D
Volume 164.87 Å 3
Surface Area 166.14 Å 2
HOMO Energy -9.37 ± 0.55 eV
LUMO Energy -0.78 ± eV
Point Group Symmetry Cs
Synonyms
  • 1h-quinazolin-4-one
  • 4(1h)-quinazolinone
  • 4(3h)-quinazolinone
  • 4(3h)-quinazolone
  • 4-hydroxyquinazoline
  • 4-oxoquinazoline
  • 4-quinazolinone
  • 4-quinazolone
  • ac-907/34125008
  • fr-0855
  • quinazolin-4(1h)-one
  • quinazolone, 4-
CAS Number(s)
  • 491-36-1
InChIKey QMNUDYFKZYBWQX-UHFFFAOYSA-N
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