4,5,6,7-Tetrahydro[1,2]Oxazolo[4,5-C]Pyridin-3(2H)-One

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Properties Simple | Detailed

Formula C6H8N2O2
IUPAC Name 4,5,6,7-tetrahydroisoxazolo[4,5-c]pyridin-3-one
Molecular Mass 140.140 g·mol−1
Heat of Formation -79.8 ± 16.7 kJ·mol−1
Dipole Moment 4.27 ± 1.08 D
Volume 157.24 Å 3
Surface Area 160.47 Å 2
HOMO Energy -9.32 ± 0.55 eV
LUMO Energy -0.21 ± eV
Point Group Symmetry C1
Synonyms
  • 4,5,6,7-tetrahydro-[1,2]oxazolo[4,5-c]pyridin-3-one
  • 4,5,6,7-tetrahydroisoxazolo(4,5-c)pyridin-3-ol
  • isoxazolo(4,5-d)pyridin-3(2h)-one, 4,5,6,7-tetrahydro-
  • thpo
CAS Number(s)
  • 53602-00-9
InChIKey SXXLKZCNJHJYFL-UHFFFAOYSA-N
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