Cas no 98593-13-6 (Cyclopentanecarbonitrile, 2-acetyl- (6CI))

Cyclopentanecarbonitrile, 2-acetyl- (6CI) structure
98593-13-6 structure
Product Name:Cyclopentanecarbonitrile, 2-acetyl- (6CI)
CAS No:98593-13-6
MF:C8H11NO
MW:137.179042100906
CID:1002584
Update Time:2024-02-06

Cyclopentanecarbonitrile, 2-acetyl- (6CI) Chemical and Physical Properties

Names and Identifiers

    • Cyclopentanecarbonitrile, 2-acetyl- (6CI)
    • (1RS,2RS)-2-acetylcyclopentanecarbonitrile
    • Inchi: 1S/C8H11NO/c1-6(10)8-4-2-3-7(8)5-9/h7-8H,2-4H2,1H3
    • InChI Key: VWMLJKKYDYVIFV-UHFFFAOYSA-N
    • SMILES: C1(C#N)CCCC1C(C)=O

Computed Properties

  • Exact Mass: 137.084
  • Monoisotopic Mass: 137.084
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 1
  • Complexity: 189
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 2
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 40.9A^2

Cyclopentanecarbonitrile, 2-acetyl- (6CI) Related Literature

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