Cas no 654663-34-0 (3-Pyridinecarboxylic acid, 4-propoxy-)

3-Pyridinecarboxylic acid, 4-propoxy- structure
654663-34-0 structure
Product Name:3-Pyridinecarboxylic acid, 4-propoxy-
CAS No:654663-34-0
MF:C9H11NO3
MW:181.188542604446
CID:1687981
Update Time:2024-09-03

3-Pyridinecarboxylic acid, 4-propoxy- Chemical and Physical Properties

Names and Identifiers

    • 3-Pyridinecarboxylic acid, 4-propoxy-
    • Inchi: 1S/C9H11NO3/c1-2-5-13-8-3-4-10-6-7(8)9(11)12/h3-4,6H,2,5H2,1H3,(H,11,12)
    • InChI Key: CMYLXZAQLMNKSV-UHFFFAOYSA-N
    • SMILES: C1=NC=CC(OCCC)=C1C(O)=O

Computed Properties

  • Exact Mass: 181.07393

Experimental Properties

  • Density: 1.190±0.06 g/cm3(Predicted)
  • Boiling Point: 333.3±22.0 °C(Predicted)
  • PSA: 59.42
  • pka: 1.50±0.36(Predicted)
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