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AB07170

1975-53-7 | 4-Cyano-2-methylbenzoic acid

Packsize Purity Availability Price Discounted Price    Quantity
1g 98% in stock $25.00 $17.00 -   +
5g 98% in stock $70.00 $49.00 -   +
10g 98% in stock $117.00 $82.00 -   +

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Description
Catalog Number: AB07170
Chemical Name: 4-Cyano-2-methylbenzoic acid
CAS Number: 1975-53-7
Molecular Formula: C9H7NO2
Molecular Weight: 161.1574
MDL Number: MFCD14582960
SMILES: N#Cc1ccc(c(c1)C)C(=O)O

 

Computed Properties
Complexity: 228  
Covalently-Bonded Unit Count: 1  
Heavy Atom Count: 12  
Hydrogen Bond Acceptor Count: 3  
Hydrogen Bond Donor Count: 1  
Rotatable Bond Count: 1  
XLogP3: 1.5  

 

 

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