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AH53630

78621-81-5 | 3-Cyano-5-methylbenzoic acid

Packsize Purity Availability Price Discounted Price    Quantity
1g 98% in stock $34.00 $24.00 -   +
5g 98% in stock $169.00 $119.00 -   +

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Description
Catalog Number: AH53630
Chemical Name: 3-Cyano-5-methylbenzoic acid
CAS Number: 78621-81-5
Molecular Formula: C9H7NO2
Molecular Weight: 161.1574
MDL Number: MFCD11007822
SMILES: N#Cc1cc(C)cc(c1)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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