Cas no 64113-87-7 (Benzonitrile,2-acetyl-5-methyl-)

Benzonitrile,2-acetyl-5-methyl- structure
64113-87-7 structure
Product Name:Benzonitrile,2-acetyl-5-methyl-
CAS No:64113-87-7
MF:C10H9NO
MW:159.184562444687
CID:500087
PubChem ID:45086165
Update Time:2025-04-19

Benzonitrile,2-acetyl-5-methyl- Chemical and Physical Properties

Names and Identifiers

    • Benzonitrile,2-acetyl-5-methyl-
    • Benzonitrile, 2-acetyl-5-methyl- (9CI)
    • 2-Acetyl-5-methylbenzonitrile
    • SCHEMBL8670727
    • Benzonitrile,2-acetyl-5-methyl-(9ci)
    • 64113-87-7
    • Inchi： 1S/C10H9NO/c1-7-3-4-10(8(2)12)9(5-7)6-11/h3-5H,1-2H3
    • InChI Key： KQALDXSZMFIDOO-UHFFFAOYSA-N
    • SMILES： O=C(C)C1C=CC(C)=CC=1C#N

Computed Properties

  • Exact Mass: 159.06847
  • Monoisotopic Mass: 159.068
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 1
  • Complexity: 225
  • 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
  • Topological Polar Surface Area: 40.9A^2
  • XLogP3: 1.7

Experimental Properties

  • PSA: 40.86

Benzonitrile,2-acetyl-5-methyl- Related Literature

64113-87-7 (Benzonitrile,2-acetyl-5-methyl-) Related Products

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