Cas no 405174-91-6 (2-Pyridinecarboxaldehyde, 3-propoxy- (9CI);)

2-Pyridinecarboxaldehyde, 3-propoxy- (9CI); structure
405174-91-6 structure
Product Name:2-Pyridinecarboxaldehyde, 3-propoxy- (9CI);
CAS No:405174-91-6
MF:C9H11NO2
MW:165.189142465591
CID:925884
PubChem ID:22018851
Update Time:2025-04-19

2-Pyridinecarboxaldehyde, 3-propoxy- (9CI); Chemical and Physical Properties

Names and Identifiers

    • 2-Pyridinecarboxaldehyde,3-propoxy-(9CI)
    • 3-n-propoxypyridine-2-carboxaldehyde
    • ZQWQTAWWLCNIFT-UHFFFAOYSA-N
    • DB-282464
    • 3-propoxypicolinaldehyde
    • 2-Pyridinecarboxaldehyde, 3-propoxy-
    • SB54734
    • 405174-91-6
    • SCHEMBL871658
    • 2-Pyridinecarboxaldehyde, 3-propoxy- (9CI);
    • Inchi: 1S/C9H11NO2/c1-2-6-12-9-4-3-5-10-8(9)7-11/h3-5,7H,2,6H2,1H3
    • InChI Key: ZQWQTAWWLCNIFT-UHFFFAOYSA-N
    • SMILES: O(C1=CC=CN=C1C=O)CCC

Computed Properties

  • Exact Mass: 165.078978594g/mol
  • Monoisotopic Mass: 165.078978594g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 4
  • Complexity: 139
  • 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: 1.5
  • Topological Polar Surface Area: 39.2?2

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