Cas no 98425-95-7 (Pentanenitrile,2-acetyl-2-methyl-)

Pentanenitrile,2-acetyl-2-methyl- structure
98425-95-7 structure
Product Name:Pentanenitrile,2-acetyl-2-methyl-
CAS No:98425-95-7
MF:C8H13NO
MW:139.194922208786
CID:801771
PubChem ID:45085558
Update Time:2025-07-13

Pentanenitrile,2-acetyl-2-methyl- Chemical and Physical Properties

Names and Identifiers

    • Pentanenitrile,2-acetyl-2-methyl-
    • 98425-95-7
    • 2-Acetyl-2-methylpentanenitrile
    • AKOS014728364
    • Inchi: 1S/C8H13NO/c1-4-5-8(3,6-9)7(2)10/h4-5H2,1-3H3
    • InChI Key: SZARUFQCHZJQGH-UHFFFAOYSA-N
    • SMILES: O=C(C)C(C#N)(C)CCC

Computed Properties

  • Exact Mass: 139.1
  • Monoisotopic Mass: 139.1
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 3
  • Complexity: 177
  • 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
  • Topological Polar Surface Area: 40.9A^2
  • XLogP3: 1.7

Pentanenitrile,2-acetyl-2-methyl- Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
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2-Acetyl-2-methylpentanenitrile
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¥6997.00 2024-04-23
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