3-Phenylisoxazole

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Properties Simple | Detailed

Formula C9H7NO
IUPAC Name 3-phenylisoxazole
Molecular Mass 145.158 g·mol−1
Heat of Formation 199.1 ± 16.7 kJ·mol−1
Dipole Moment 2.38 ± 1.08 D
Volume 173.33 Å 3
Surface Area 175.69 Å 2
HOMO Energy -9.57 ± 0.55 eV
LUMO Energy 2.40 ± eV
Point Group Symmetry Cs
Synonyms
  • 3-phenyl-1,2-oxazole
  • isoxazole, 3-phenyl-
CAS Number(s)
  • 1006-65-1
InChIKey ZBRDJMFLJXFIGJ-UHFFFAOYSA-N
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Elements H C O N