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113504-93-1,MFCD00066321
Catalog No.:AA0008QY

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

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
98%(GC)
in stock  
$40.00   $28.00
- +
5g
98%(GC)
in stock  
$120.00   $84.00
- +
10g
98%(GC)
in stock  
$191.00   $134.00
- +
25g
≥95%
in stock  
$331.00   $232.00
- +
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Technical Information
Catalog Number:
AA0008QY
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
Properties
Computed Properties
 
Complexity:
215  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Rotatable Bond Count:
1  
XLogP3:
3  

Literature
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Additional Info:
SDS
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Tags:113504-93-1 Molecular Formula|113504-93-1 MDL|113504-93-1 SMILES|113504-93-1 3,4-Methylenedioxyphenyl isothiocyanate