2-Methyl-5-Oxo-1-Phenyl-2,5-Dihydro-1H-Pyrazole-3-Carboxylic Acid

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Properties Simple | Detailed

Formula C11H10N2O3
IUPAC Name 2-methyl-5-oxo-1-phenyl-pyrazole-1,2-diium-3-carboxylic acid
Molecular Mass 218.209 g·mol−1
Heat of Formation -210.7 ± 16.7 kJ·mol−1
Dipole Moment 2.75 ± 1.08 D
Volume 245.96 Å 3
Surface Area 231.33 Å 2
HOMO Energy -8.94 ± 0.55 eV
LUMO Energy -1.37 ± eV
Point Group Symmetry C1
Synonyms
  • 2,5-dihydro-2-methyl-5-oxo-1-phenyl-1h-pyrazole-3-carboxylic acid
  • 2-methyl-5-oxo-1-phenyl-3-pyrazolecarboxylic acid
  • 2-methyl-5-oxo-1-phenyl-pyrazole-3-carboxylic acid
  • 2-methyl-5-oxo-1-phenylpyrazole-3-carboxylic acid
  • 3-carboxyantipyrine
  • 5-keto-2-methyl-1-phenyl-pyrazole-3-carboxylic acid
CAS Number(s)
  • 41405-77-0
InChIKey OIHMJESJURQMDG-UHFFFAOYSA-N
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