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171361-56-1,MFCD12406634
Catalog No.:AA00ANKL

171361-56-1 | 2-(4-Oxocyclohexyl)acetonitrile

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250mg
95%
in stock  
$289.00   $202.00
- +
1g
95%
in stock  
$646.00   $452.00
- +
  • Technical Information
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  • Downstream Synthesis Route
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
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Technical Information
Catalog Number:
AA00ANKL
Chemical Name:
2-(4-Oxocyclohexyl)acetonitrile
CAS Number:
171361-56-1
Molecular Formula:
C8H11NO
Molecular Weight:
137.1790
MDL Number:
MFCD12406634
SMILES:
C1CC(=O)CCC1CC#N
Properties
Computed Properties
 
Complexity:
167  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
2  
Rotatable Bond Count:
1  
XLogP3:
0.3  

Downstream Synthesis Route
908094-01-9    171361-56-1   
(1-Oxa-spiro2.5oct-6-yl)-acetonitrile 
  171361-63-0   
(5-Oxo-cyclooctyl)-acetonitrile 
 
(4-Oxo-cyclooctyl)-acetonitrile 

[1]Alonso,Francisco;Mico,Irene;Najera,Carmen;Sansano,JoseM.;Yus,Miguel;etal.[Tetrahedron,1995,vol.51,#37,p.10259-10280]

[2]Alonso,Francisco;Mico,Irene;Najera,Carmen;Sansano,JoseM.;Yus,Miguel;etal.[Tetrahedron,1995,vol.51,#37,p.10259-10280]

[3]Alonso,Francisco;Mico,Irene;Najera,Carmen;Sansano,JoseM.;Yus,Miguel;etal.[Tetrahedron,1995,vol.51,#37,p.10259-10280]

171361-56-1    18107-18-1   
(1-Oxa-spiro2.5oct-6-yl)-acetonitrile 
  171361-63-0   
(5-Oxo-cyclooctyl)-acetonitrile 
 
(4-Oxo-cyclooctyl)-acetonitrile 

[1]Alonso,Francisco;Mico,Irene;Najera,Carmen;Sansano,JoseM.;Yus,Miguel;etal.[Tetrahedron,1995,vol.51,#37,p.10259-10280]

[2]Alonso,Francisco;Mico,Irene;Najera,Carmen;Sansano,JoseM.;Yus,Miguel;etal.[Tetrahedron,1995,vol.51,#37,p.10259-10280]

[3]Alonso,Francisco;Mico,Irene;Najera,Carmen;Sansano,JoseM.;Yus,Miguel;etal.[Tetrahedron,1995,vol.51,#37,p.10259-10280]

151-50-8    171361-56-1   
(2,4-Dioxo-1,3-diaza-spiro4.5dec-8-yl)-acetonitrile 

[1]Alonso,Francisco;Mico,Irene;Najera,Carmen;Sansano,JoseM.;Yus,Miguel;etal.[Tetrahedron,1995,vol.51,#37,p.10259-10280]

[1]Locationinpatent:schemeortableRew,Yosup;McMinn,DustinL.;Wang,Zhulun;He,Xiao;Hungate,RandallW.;Jaen,JuanC.;Sudom,Athena;Sun,Daqing;Tu,Hua;Ursu,Stefania;Villemure,Elisia;Walker,NigelP.C.;Yan,Xuelei;Ye,Qiuping;Powers,JayP.[BioorganicandMedicinalChemistryLetters,2009,vol.19,#6,p.1797-1801]

[2]Alonso,Francisco;Mico,Irene;Najera,Carmen;Sansano,JoseM.;Yus,Miguel;etal.[Tetrahedron,1995,vol.51,#37,p.10259-10280]

[1]Locationinpatent:schemeortableRew,Yosup;McMinn,DustinL.;Wang,Zhulun;He,Xiao;Hungate,RandallW.;Jaen,JuanC.;Sudom,Athena;Sun,Daqing;Tu,Hua;Ursu,Stefania;Villemure,Elisia;Walker,NigelP.C.;Yan,Xuelei;Ye,Qiuping;Powers,JayP.[BioorganicandMedicinalChemistryLetters,2009,vol.19,#6,p.1797-1801]

Literature
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SDS
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Tags:171361-56-1 Molecular Formula|171361-56-1 MDL|171361-56-1 SMILES|171361-56-1 2-(4-Oxocyclohexyl)acetonitrile