4-Hydroperoxy-1,5-Dimethyl-2-Phenyl-1,2-Dihydro-3H-Pyrazol-3-One

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Properties Simple | Detailed

Formula C11H12N2O3
IUPAC Name 4-hydroperoxy-1,5-dimethyl-2-phenyl-pyrazole-1,2-diium-3-one
Molecular Mass 220.225 g·mol−1
Heat of Formation 19.0 ± 16.7 kJ·mol−1
Dipole Moment 5.16 ± 1.08 D
Volume 257.77 Å 3
Surface Area 240.59 Å 2
HOMO Energy -8.86 ± 0.55 eV
LUMO Energy -0.74 ± eV
Point Group Symmetry C1
Synonyms
  • 3h-pyrazol-3-one, 1,2-dihydro-4-hydroperoxy-1,5-dimethyl-2-phenyl-
  • 4-hydroperoxy-1,5-dimethyl-2-phenyl-3-pyrazolone
  • 4-hydroperoxy-1,5-dimethyl-2-phenyl-pyrazol-3-one
  • 4-hydroperoxy-1,5-dimethyl-2-phenylpyrazol-3-one
  • antipyrinyl-4-peroxide
CAS Number(s)
  • 69124-27-2
InChIKey PRHVTMZSBSBTNG-UHFFFAOYSA-N
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