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Home  > 3,4-Methylenedioxyphenyl isothiocyanate

AA11238

113504-93-1 | 3,4-Methylenedioxyphenyl isothiocyanate

Packsize Purity Availability Price Discounted Price    Quantity
1g 98%(GC) in stock $39.00 $27.00 -   +
5g ≥95% in stock $109.00 $77.00 -   +
10g 98%(GC) in stock $185.00 $130.00 -   +
25g ≥95% in stock $307.00 $215.00 -   +

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Description
Catalog Number: AA11238
Chemical Name: 3,4-Methylenedioxyphenyl isothiocyanate
CAS Number: 113504-93-1
Molecular Formula: C8H5NO2S
Molecular Weight: 179.1958
MDL Number: MFCD00066321
SMILES: S=C=Nc1ccc2c(c1)OCO2

 

Computed Properties
Complexity: 215  
Covalently-Bonded Unit Count: 1  
Heavy Atom Count: 12  
Hydrogen Bond Acceptor Count: 4  
Rotatable Bond Count: 1  
XLogP3: 3  

 

 

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