Cas no 820237-46-5 (3-Pyridinecarboxaldehyde, 2,6-dipropoxy-)

3-Pyridinecarboxaldehyde, 2,6-dipropoxy- structure
820237-46-5 structure
Product Name:3-Pyridinecarboxaldehyde, 2,6-dipropoxy-
CAS No:820237-46-5
MF:C12H17NO3
MW:223.268283605576
CID:700628
PubChem ID:71420411
Update Time:2025-04-19

3-Pyridinecarboxaldehyde, 2,6-dipropoxy- Chemical and Physical Properties

Names and Identifiers

    • 3-Pyridinecarboxaldehyde, 2,6-dipropoxy-
    • 2,6-dipropoxypyridine-3-carbaldehyde
    • LFBBQLCAAUNJJV-UHFFFAOYSA-N
    • DTXSID30839603
    • 820237-46-5
    • 2,6-Dipropoxy-pyridine-3-carbaldehyde
    • SCHEMBL5443133
    • Inchi: 1S/C12H17NO3/c1-3-7-15-11-6-5-10(9-14)12(13-11)16-8-4-2/h5-6,9H,3-4,7-8H2,1-2H3
    • InChI Key: LFBBQLCAAUNJJV-UHFFFAOYSA-N
    • SMILES: O(C1C(C=O)=CC=C(N=1)OCCC)CCC

Computed Properties

  • Exact Mass: 223.12084340g/mol
  • Monoisotopic Mass: 223.12084340g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 7
  • Complexity: 199
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.7
  • Topological Polar Surface Area: 48.4?2
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