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1027513-23-0,MFCD09800720
Catalog No.:AA01FCFH

1027513-23-0 | 4-Carboxy-2-methylphenylisothiocyanate

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
95%
in stock  
$136.00   $95.00
- +
1g
95%
in stock  
$293.00   $205.00
- +
5g
95%
in stock  
$1,372.00   $960.00
- +
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  • Technical Information
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Technical Information
Catalog Number:
AA01FCFH
Chemical Name:
4-Carboxy-2-methylphenylisothiocyanate
CAS Number:
1027513-23-0
Molecular Formula:
C9H7NO2S
Molecular Weight:
193.2224
MDL Number:
MFCD09800720
SMILES:
S=C=Nc1ccc(cc1C)C(=O)O
Properties
Computed Properties
 
Complexity:
248  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
2  
XLogP3:
3.2  

Literature
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Additional Info:
SDS
Tags:1027513-23-0 Molecular Formula|1027513-23-0 MDL|1027513-23-0 SMILES|1027513-23-0 4-Carboxy-2-methylphenylisothiocyanate