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AC22413

872091-00-4 | 3-(2-Cyanopropan-2-yl)benzoic acid

Packsize Purity Availability Price Discounted Price    Quantity
100mg 98% in stock $9.00 $7.00 -   +
250mg 98% in stock $13.00 $10.00 -   +
1g 98% in stock $28.00 $20.00 -   +
5g 98% in stock $120.00 $84.00 -   +

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Description
Catalog Number: AC22413
Chemical Name: 3-(2-Cyanopropan-2-yl)benzoic acid
CAS Number: 872091-00-4
Molecular Formula: C11H11NO2
Molecular Weight: 189.21054
MDL Number: MFCD19694856
SMILES: N#CC(c1cccc(c1)C(=O)O)(C)C

 

Computed Properties
Complexity: 274  
Covalently-Bonded Unit Count: 1  
Heavy Atom Count: 14  
Hydrogen Bond Acceptor Count: 3  
Hydrogen Bond Donor Count: 1  
Rotatable Bond Count: 2  
XLogP3: 2.7  

 

 

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