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AB78681

53487-52-8 | P-Toluenesulfonic acid 1-butyn-3-yl ester

Packsize Purity Availability Price Discounted Price    Quantity
1g 96% in stock $48.00 $34.00 -   +
5g >98.0%(GC) in stock $190.00 $133.00 -   +
25g 96% in stock $853.00 $597.00 -   +

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Description
Catalog Number: AB78681
Chemical Name: P-Toluenesulfonic acid 1-butyn-3-yl ester
CAS Number: 53487-52-8
Molecular Formula: C11H12O3S
Molecular Weight: 224.2762
MDL Number: MFCD00060095
SMILES: CC(OS(=O)(=O)c1ccc(cc1)C)C#C

 

Computed Properties
Complexity: 336  
Covalently-Bonded Unit Count: 1  
Heavy Atom Count: 15  
Hydrogen Bond Acceptor Count: 3  
Rotatable Bond Count: 3  
Undefined Atom Stereocenter Count: 1  
XLogP3: 2.1  

 

 

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