Home Nitro Compounds 39562-27-1
39562-27-1,MFCD00551860
Catalog No.:AA0078HE

39562-27-1 | Methyl 2-(2-nitrobenzylidene)-3-oxobutanoate

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1mg
>95%
1 week  
$299.00   $209.00
- +
5mg
>95%
1 week  
$319.00   $223.00
- +
500mg
>95%
1 week  
$339.00   $238.00
- +
1g
>95%
1 week  
$414.00   $290.00
- +
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Technical Information
Catalog Number:
AA0078HE
Chemical Name:
Methyl 2-(2-nitrobenzylidene)-3-oxobutanoate
CAS Number:
39562-27-1
Molecular Formula:
C12H11NO5
Molecular Weight:
249.2194
MDL Number:
MFCD00551860
SMILES:
COC(=O)C(=Cc1ccccc1[N+](=O)[O-])C(=O)C
Properties
Computed Properties
 
Complexity:
382  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
5  
Rotatable Bond Count:
4  
Undefined Bond Stereocenter Count:
1  
XLogP3:
1.7  

Literature
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Additional Info:
SDS
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Tags:39562-27-1 Molecular Formula|39562-27-1 MDL|39562-27-1 SMILES|39562-27-1 Methyl 2-(2-nitrobenzylidene)-3-oxobutanoate