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AB44239

5537-71-3 | 3-(1-Cyanoethyl)benzoic acid

Packsize Purity Availability Price Discounted Price    Quantity
5g 97% in stock $6.00 $4.00 -   +
10g 97% in stock $8.00 $6.00 -   +
25g 97% in stock $14.00 $10.00 -   +
100g 97% in stock $54.00 $38.00 -   +
500g 97% in stock $236.00 $165.00 -   +

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*All prices are in USD.

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Description
Catalog Number: AB44239
Chemical Name: 3-(1-Cyanoethyl)benzoic acid
CAS Number: 5537-71-3
Molecular Formula: C10H9NO2
Molecular Weight: 175.1840
MDL Number: MFCD00002520
SMILES: N#CC(c1cccc(c1)C(=O)O)C
NSC Number: 113992

 

Computed Properties
Complexity: 241  
Covalently-Bonded Unit Count: 1  
Heavy Atom Count: 13  
Hydrogen Bond Acceptor Count: 3  
Hydrogen Bond Donor Count: 1  
Rotatable Bond Count: 2  
Undefined Atom Stereocenter Count: 1  
XLogP3: 2.2  

 

 

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