Cas no 77609-06-4 (Propanedinitrile, (3-oxo-1,3-diphenylpropyl)-)

Propanedinitrile, (3-oxo-1,3-diphenylpropyl)- structure
77609-06-4 structure
Product Name:Propanedinitrile, (3-oxo-1,3-diphenylpropyl)-
CAS No:77609-06-4
MF:C18H14N2O
MW:274.316564083099
CID:535823
PubChem ID:2807482
Update Time:2025-04-19

Propanedinitrile, (3-oxo-1,3-diphenylpropyl)- Chemical and Physical Properties

Names and Identifiers

    • Propanedinitrile, (3-oxo-1,3-diphenylpropyl)-
    • 2-(3-oxo-1,3-diphenylpropyl)propanedinitrile
    • Maybridge3_001356
    • IDI1_012743
    • Cyto3D9
    • 2-(3-oxo-1,3-diphenylpropyl)malononitrile
    • AKOS000649762
    • DTXSID60384550
    • HMS1434N14
    • 2-(3-Oxo-1,3-diphenyl-propyl)-malononitrile
    • CCG-47398
    • 77609-06-4
    • SR-01000637017-1
    • MDL: MFCD00219030
    • Inchi: 1S/C18H14N2O/c19-12-16(13-20)17(14-7-3-1-4-8-14)11-18(21)15-9-5-2-6-10-15/h1-10,16-17H,11H2
    • InChI Key: UJNRFMIPHRZNRJ-UHFFFAOYSA-N
    • SMILES: O=C(C1C=CC=CC=1)CC(C(C#N)C#N)C1C=CC=CC=1

Computed Properties

  • Exact Mass: 274.111
  • Monoisotopic Mass: 274.111
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 21
  • Rotatable Bond Count: 5
  • Complexity: 424
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 3
  • Topological Polar Surface Area: 64.6?2

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