Cas no 357926-58-0 (4-Pyrimidinecarboxylic acid, 2-cyano-, ethyl ester)

4-Pyrimidinecarboxylic acid, 2-cyano-, ethyl ester structure
357926-58-0 structure
Product Name:4-Pyrimidinecarboxylic acid, 2-cyano-, ethyl ester
CAS No:357926-58-0
MF:C8H7N3O2
MW:177.160081148148
CID:1475069
Update Time:2024-08-24

4-Pyrimidinecarboxylic acid, 2-cyano-, ethyl ester Chemical and Physical Properties

Names and Identifiers

    • 4-Pyrimidinecarboxylic acid, 2-cyano-, ethyl ester
    • Inchi: 1S/C8H7N3O2/c1-2-13-8(12)6-3-4-10-7(5-9)11-6/h3-4H,2H2,1H3
    • InChI Key: WMDYFUSKJWXKQU-UHFFFAOYSA-N
    • SMILES: C1(C#N)=NC=CC(C(OCC)=O)=N1

Computed Properties

  • Exact Mass: 177.05391

Experimental Properties

  • Density: 1.27±0.1 g/cm3(Predicted)
  • Boiling Point: 335.6±34.0 °C(Predicted)
  • PSA: 75.87
  • pka: -5.51±0.20(Predicted)
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