Cas no 879093-49-9 (3-Acetylpicolinonitrile)

3-Acetylpicolinonitrile structure
3-Acetylpicolinonitrile structure
Product Name:3-Acetylpicolinonitrile
CAS No:879093-49-9
MF:C8H6N2O
MW:146.14604139328
CID:1091827
PubChem ID:22939416
Update Time:2025-04-20

3-Acetylpicolinonitrile Chemical and Physical Properties

Names and Identifiers

    • 3-Acetylpicolinonitrile
    • 3-acetyl-2-cyanopyridine
    • 3-Acetylpyridine-2-carbonitrile
    • 138746-37-9
    • SB53274
    • 879093-49-9
    • SCHEMBL2961058
    • BNKZKEBLYZCTKF-UHFFFAOYSA-N
    • DTXSID30629122
    • Inchi: 1S/C8H6N2O/c1-6(11)7-3-2-4-10-8(7)5-9/h2-4H,1H3
    • InChI Key: BNKZKEBLYZCTKF-UHFFFAOYSA-N
    • SMILES: O=C(C)C1C(C#N)=NC=CC=1

Computed Properties

  • Exact Mass: 146.048012819g/mol
  • Monoisotopic Mass: 146.048012819g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 1
  • Complexity: 203
  • 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: 0.6
  • Topological Polar Surface Area: 53.8?2

3-Acetylpicolinonitrile Pricemore >>

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