Cas no 403615-63-4 (Cyclopentanecarbonitrile,1-acetyl-)

Cyclopentanecarbonitrile,1-acetyl- structure
403615-63-4 structure
Product Name:Cyclopentanecarbonitrile,1-acetyl-
CAS No:403615-63-4
MF:C8H11NO
MW:137.179042100906
CID:325925
PubChem ID:45085475
Update Time:2025-04-19

Cyclopentanecarbonitrile,1-acetyl- Chemical and Physical Properties

Names and Identifiers

    • Cyclopentanecarbonitrile,1-acetyl-
    • Cyclopentanecarbonitrile, 1-acetyl- (9CI)
    • 403615-63-4
    • 1-Acetylcyclopentanecarbonitrile
    • DTXSID701303054
    • Inchi: 1S/C8H11NO/c1-7(10)8(6-9)4-2-3-5-8/h2-5H2,1H3
    • InChI Key: IAAKWLLWPBACJD-UHFFFAOYSA-N
    • SMILES: O=C(C)C1(C#N)CCCC1

Computed Properties

  • Exact Mass: 137.084063974g/mol
  • Monoisotopic Mass: 137.084063974g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 1
  • Complexity: 193
  • 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: 1.3
  • Topological Polar Surface Area: 40.9?2
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