Cas no 19036-56-7 (1-hydroxycycloheptanecarbonitrile)

1-hydroxycycloheptanecarbonitrile structure
19036-56-7 structure
Product Name:1-hydroxycycloheptanecarbonitrile
CAS No:19036-56-7
MF:C8H13NO
MW:139.194922208786
CID:907709
PubChem ID:263362
Update Time:2025-04-19

1-hydroxycycloheptanecarbonitrile Chemical and Physical Properties

Names and Identifiers

    • 1-hydroxycycloheptanecarbonitrile
    • 1-hydroxycycloheptane-1-carbonitrile
    • 1-Hydroxy-1-cyclopentancarbonitril
    • 1-Hydroxy-cycloheptancarbonitril
    • 1-Hydroxy-cycloheptan-carbonsaeure-(1)-nitril
    • 1-hydroxy-cycloheptanecarbonitrile
    • AC1L69JR
    • AC1Q4QZO
    • AR-1C4054
    • CTK0H6849
    • Cycloheptanon-cyanhydrin
    • cycloheptanone cyanhydrin
    • cycloheptanone cyanohydrin
    • NCIOpen2_001641
    • NSC97768
    • SPB-80105
    • SCHEMBL11687828
    • DTXSID90294734
    • NSC-97768
    • AKOS009434330
    • 19036-56-7
    • Inchi: 1S/C8H13NO/c9-7-8(10)5-3-1-2-4-6-8/h10H,1-6H2
    • InChI Key: CGEZRNRVVMKSJB-UHFFFAOYSA-N
    • SMILES: OC1(C#N)CCCCCC1

Computed Properties

  • Exact Mass: 139.09979
  • Monoisotopic Mass: 139.1
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 0
  • Complexity: 148
  • 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: 1.5
  • Topological Polar Surface Area: 44?2

Experimental Properties

  • Density: 1.03
  • Boiling Point: 277.9°C at 760 mmHg
  • Flash Point: 121.9°C
  • Refractive Index: 1.486
  • PSA: 44.02
  • LogP: 1.59528
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