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AA82731

16051-87-9 | 3-Cyanopropanoic acid

Packsize Purity Availability Price Discounted Price    Quantity
250mg 95% in stock $11.00 $8.00 -   +
1g 95% in stock $19.00 $14.00 -   +
5g 95% in stock $66.00 $46.00 -   +
25g 95% in stock $321.00 $225.00 -   +

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Description
Catalog Number: AA82731
Chemical Name: 3-Cyanopropanoic acid
CAS Number: 16051-87-9
Molecular Formula: C4H5NO2
Molecular Weight: 99.0880
MDL Number: MFCD00233974
SMILES: N#CCCC(=O)O
NSC Number: 97378

 

Computed Properties
Complexity: 110  
Covalently-Bonded Unit Count: 1  
Heavy Atom Count: 7  
Hydrogen Bond Acceptor Count: 3  
Hydrogen Bond Donor Count: 1  
Rotatable Bond Count: 2  
XLogP3: -0.6  

 

 

Upstream Synthesis Route 
  • 3-Cyanopropanoic acid, also known as malonic acid nitrile, is a versatile compound that finds extensive application in chemical synthesis. In organic chemistry, 3-Cyanopropanoic acid is commonly utilized as a precursor in the synthesis of various valuable compounds. One key application of 3-Cyanopropanoic acid is in the preparation of malonic esters through esterification reactions. These malonic esters serve as important building blocks in the synthesis of pharmaceuticals, agrochemicals, and various fine chemicals. Additionally, 3-Cyanopropanoic acid can undergo nucleophilic substitution reactions to introduce cyano groups into organic molecules, enabling further functionalization and diversification of chemical structures. Furthermore, the presence of a reactive cyano group in 3-Cyanopropanoic acid allows for its participation in various multicomponent reactions, facilitating the rapid construction of complex molecular frameworks. Overall, the strategic use of 3-Cyanopropanoic acid in chemical synthesis exemplifies its significance as a valuable intermediate for the efficient preparation of diverse organic compounds.
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