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2469-99-0,MFCD05861381
Catalog No.:AA002OZG

2469-99-0 | 3-Oxobutanenitrile

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Purity
Availability
Price(USD)
Quantity
  
1g
95%
in stock  
$68.00   $48.00
- +
5g
95%
in stock  
$100.00   $70.00
- +
10g
95%
in stock  
$147.00   $103.00
- +
25g
95%
in stock  
$306.00   $214.00
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  • Technical Information
  • Properties
  • Literature
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA002OZG
Chemical Name:
3-Oxobutanenitrile
CAS Number:
2469-99-0
Molecular Formula:
C4H5NO
Molecular Weight:
83.0886
MDL Number:
MFCD05861381
SMILES:
CC(=O)CC#N
Properties
Properties
 
BP:
92-94℃/10mm  
Form:
Liquid  
Refractive Index:
1.4285  
Storage:
Inert atmosphere;-20 ℃;  

Computed Properties
 
Complexity:
97.4  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
6  
Hydrogen Bond Acceptor Count:
2  
Rotatable Bond Count:
1  
XLogP3:
-0.2  

Literature

Title: The pyrolysis of isoxazole revisited: a new primary product and the pivotal role of the vinylnitrene. A low-temperature matrix isolation and computational study.

Journal: Journal of the American Chemical Society 20111123

Title: Synthesis of some novel pyrazolo[3,4-b]pyridine and pyrazolo[3,4-d]pyrimidine derivatives bearing 5,6-diphenyl-1,2,4-triazine moiety as potential antimicrobial agents.

Journal: European journal of medicinal chemistry 20091101

Title: First synthesis of 3-acetyl-2-aminothiophenes using the Gewald reaction.

Journal: Molecules (Basel, Switzerland) 20060516

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SDS
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