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3406-75-5,MFCD00024709
Catalog No.:AA007HIA

3406-75-5 | 2-[(4-Nitrophenyl)sulfanyl]acetic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
95%
in stock  
$178.00   $125.00
- +
5g
95%
in stock  
$544.00   $381.00
- +
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  • Technical Information
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Technical Information
Catalog Number:
AA007HIA
Chemical Name:
2-[(4-Nitrophenyl)sulfanyl]acetic acid
CAS Number:
3406-75-5
Molecular Formula:
C8H7NO4S
Molecular Weight:
213.2105
MDL Number:
MFCD00024709
SMILES:
OC(=O)CSc1ccc(cc1)[N+](=O)[O-]
NSC Number:
51445
Properties
Computed Properties
 
Complexity:
220  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
3  
XLogP3:
1.7  

Literature

Title: Hydrogen-bonded molecular ladders in S-(4-nitrophenyl)thioglycolic acid.

Journal: Acta crystallographica. Section C, Crystal structure communications 20020401

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