4-Hydroxy-2-(4-Hydroxyphenyl)-1,5-Dimethyl-1,2-Dihydro-3H-Pyrazol-3-One

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Properties Simple | Detailed

Formula C11H12N2O3
IUPAC Name 4-hydroxy-2-(4-hydroxyphenyl)-1,5-dimethyl-pyrazole-1,2-diium-3-one
Molecular Mass 220.225 g·mol−1
Heat of Formation -239.2 ± 16.7 kJ·mol−1
Dipole Moment 4.84 ± 1.08 D
Volume 255.46 Å 3
Surface Area 239.22 Å 2
HOMO Energy -8.52 ± 0.55 eV
LUMO Energy 2.69 ± eV
Point Group Symmetry C1
Synonyms
  • 3h-pyrazol-3-one, 1,2-dihydro-4-hydroxy-2-(4-hydroxyphenyl)-1,5-dimethyl
  • 4,4'-dihydroxyantipyrine
  • 4,4'-dihydroxyphenazone
  • 4-hydroxy-2-(4-hydroxyphenyl)-1,5-dimethyl-3-pyrazolone
  • 4-hydroxy-2-(4-hydroxyphenyl)-1,5-dimethyl-pyrazol-3-one
  • 4-hydroxy-2-(4-hydroxyphenyl)-1,5-dimethylpyrazol-3-one
CAS Number(s)
  • 72732-51-5
InChIKey ZXTYDPBZSLDXIN-UHFFFAOYSA-N
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