1-Hydroxy-7-Azabenzotriazole

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Properties Simple | Detailed

Formula C5H4N4O
IUPAC Name 7-hydroxy-5,9-diaza-7-azonia-8-azanidabicyclo[4.3.0]nona-1(9),2,4,6-tetraene
Molecular Mass 136.111 g·mol−1
Heat of Formation 393.1 ± 16.7 kJ·mol−1
Dipole Moment 1.87 ± 1.08 D
Volume 144.1 Å 3
Surface Area 151.42 Å 2
HOMO Energy -9.84 ± 0.55 eV
LUMO Energy 1.81 ± eV
Point Group Symmetry Cs
Synonyms
  • 1-hydroxy-7-azabenzotriazole solution
  • 3-hydroxy-[1,2,3]triazolo[5,4-b]pyridine
  • 3-hydroxytriazolo[5,4-b]pyridine
  • 3h-[1,2,3]-triazolo[4,5-b]pyridin-3-ol
  • hoat
CAS Number(s)
  • 39968-33-7
InChIKey FPIRBHDGWMWJEP-UHFFFAOYSA-N
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