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Home Carboxes 3406-71-1
3406-71-1,MFCD13196003
Catalog No.:AA019X2P

3406-71-1 | 2-(4-nitrobenzenesulfinyl)acetic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
50mg
95%
3 weeks  
$356.00   $249.00
- +
100mg
95%
3 weeks  
$475.00   $333.00
- +
250mg
95%
3 weeks  
$631.00   $442.00
- +
500mg
95%
3 weeks  
$972.00   $680.00
- +
1g
95%
3 weeks  
$1,211.00   $848.00
- +
2.5g
95%
3 weeks  
$2,261.00   $1,583.00
- +
5g
95%
3 weeks  
$3,292.00   $2,304.00
- +
  • Technical Information
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA019X2P
Chemical Name:
2-(4-nitrobenzenesulfinyl)acetic acid
CAS Number:
3406-71-1
Molecular Formula:
C8H7NO5S
Molecular Weight:
229.2099
MDL Number:
MFCD13196003
SMILES:
OC(=O)CS(=O)c1ccc(cc1)[N+](=O)[O-]
Properties
Computed Properties
 
Complexity:
279  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
3  
Undefined Atom Stereocenter Count:
1  
XLogP3:
0.6  

Literature

Title: (4-nitrophenylsulfinyl)acetic acid, a three-dimensional hydrogen-bonded framework built from a combination of two-centre O-H...O and C-H...O hydrogen bonds and a three-centre C-H...(O)2 hydrogen bond.

Journal: Acta crystallographica. Section C, Crystal structure communications 20030301

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SDS
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Tags:3406-71-1 Molecular Formula|3406-71-1 MDL|3406-71-1 SMILES|3406-71-1 2-(4-nitrobenzenesulfinyl)acetic acid