Cas no 52173-03-2 (1H-Pyrazole-4-carboxaldehyde,4,5-dihydro-3-methyl-1-(4-methylphenyl)-5-oxo-)

1H-Pyrazole-4-carboxaldehyde,4,5-dihydro-3-methyl-1-(4-methylphenyl)-5-oxo- structure
52173-03-2 structure
Product Name:1H-Pyrazole-4-carboxaldehyde,4,5-dihydro-3-methyl-1-(4-methylphenyl)-5-oxo-
CAS No:52173-03-2
MF:C12H12N2O2
MW:216.235882759094
CID:1576071
Update Time:2024-08-24

1H-Pyrazole-4-carboxaldehyde,4,5-dihydro-3-methyl-1-(4-methylphenyl)-5-oxo- Chemical and Physical Properties

Names and Identifiers

    • 1H-Pyrazole-4-carboxaldehyde,4,5-dihydro-3-methyl-1-(4-methylphenyl)-5-oxo-
    • 3-methyl-1-(4-methylphenyl)-5-oxo-4H-pyrazole-4-carbaldehyde
    • 1H-Pyrazole-4-carboxaldehyde, 4,5-dihydro-3-methyl-1-(4-methylphenyl)-5-oxo-
    • Inchi: 1S/C12H12N2O2/c1-8-3-5-10(6-4-8)14-12(16)11(7-15)9(2)13-14/h3-7,11H,1-2H3
    • InChI Key: NOGXLNSDDOXIGP-UHFFFAOYSA-N
    • SMILES: N1(C2=CC=C(C)C=C2)C(=O)C(C=O)C(C)=N1

Computed Properties

  • Exact Mass: 216.08996

Experimental Properties

  • Density: 1.22±0.1 g/cm3(Predicted)
  • Melting Point: 173-174 °C(Solv: 1,4-dioxane (123-91-1))
  • Boiling Point: 419.6±45.0 °C(Predicted)
  • PSA: 49.74
  • pka: 4.00±0.70(Predicted)
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