Cas no 51179-19-2 (3-Quinolinecarboxaldehyde, 2,4,6-trimethoxy-)

3-Quinolinecarboxaldehyde, 2,4,6-trimethoxy- structure
51179-19-2 structure
Product Name:3-Quinolinecarboxaldehyde, 2,4,6-trimethoxy-
CAS No:51179-19-2
MF:C13H13NO4
MW:247.246623754501
CID:363037
PubChem ID:3441994
Update Time:2025-04-19

3-Quinolinecarboxaldehyde, 2,4,6-trimethoxy- Chemical and Physical Properties

Names and Identifiers

    • 3-Quinolinecarboxaldehyde, 2,4,6-trimethoxy-
    • 2,4,6-trimethoxyquinoline-3-carbaldehyde
    • NSC-621627
    • 51179-19-2
    • NSC621627
    • DTXSID80392511
    • Inchi: 1S/C13H13NO4/c1-16-8-4-5-11-9(6-8)12(17-2)10(7-15)13(14-11)18-3/h4-7H,1-3H3
    • InChI Key: AKMLOGOOJOJNLA-UHFFFAOYSA-N
    • SMILES: O(C)C1C(C=O)=C(N=C2C=CC(=CC2=1)OC)OC

Computed Properties

  • Exact Mass: 247.08449
  • Monoisotopic Mass: 247.08445790g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 4
  • Complexity: 286
  • 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: 1.9
  • Topological Polar Surface Area: 57.6?2

Experimental Properties

  • PSA: 57.65
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