Cas no 109925-26-0 (1H-Pyrazole-4-carboxaldehyde, 5-(4-methoxyphenoxy)-1,3-dimethyl-)

1H-Pyrazole-4-carboxaldehyde, 5-(4-methoxyphenoxy)-1,3-dimethyl- structure
109925-26-0 structure
Product Name:1H-Pyrazole-4-carboxaldehyde, 5-(4-methoxyphenoxy)-1,3-dimethyl-
CAS No:109925-26-0
MF:C13H14N2O3
MW:246.261863231659
CID:1194374
Update Time:2024-08-05

1H-Pyrazole-4-carboxaldehyde, 5-(4-methoxyphenoxy)-1,3-dimethyl- Chemical and Physical Properties

Names and Identifiers

    • 1H-Pyrazole-4-carboxaldehyde, 5-(4-methoxyphenoxy)-1,3-dimethyl-
    • Inchi: 1S/C13H14N2O3/c1-9-12(8-16)13(15(2)14-9)18-11-6-4-10(17-3)5-7-11/h4-8H,1-3H3
    • InChI Key: KYAVCRMQAJVYJT-UHFFFAOYSA-N
    • SMILES: N1(C)C(OC2=CC=C(OC)C=C2)=C(C=O)C(C)=N1

Computed Properties

  • Exact Mass: 246.10052

Experimental Properties

  • Density: 1.18±0.1 g/cm3(Predicted)
  • Boiling Point: 378.4±42.0 °C(Predicted)
  • PSA: 53.35
  • pka: 0.82±0.10(Predicted)
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