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AB49642

5689-33-8 | 3-(Cyanomethyl)benzoic acid

Packsize Purity Availability Price Discounted Price    Quantity
1g 96% in stock $29.00 $21.00 -   +
5g 96% in stock $129.00 $90.00 -   +
10g 96% in stock $209.00 $147.00 -   +
25g 96% in stock $401.00 $281.00 -   +
100g 96% in stock $1,333.00 $933.00 -   +

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Description
Catalog Number: AB49642
Chemical Name: 3-(Cyanomethyl)benzoic acid
CAS Number: 5689-33-8
Molecular Formula: C9H7NO2
Molecular Weight: 161.1574
MDL Number: MFCD08234486
SMILES: N#CCc1cccc(c1)C(=O)O

 

Computed Properties
Complexity: 216  
Covalently-Bonded Unit Count: 1  
Heavy Atom Count: 12  
Hydrogen Bond Acceptor Count: 3  
Hydrogen Bond Donor Count: 1  
Rotatable Bond Count: 2  
XLogP3: 1.3  

 

 

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