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39562-25-9,MFCD01234175
Catalog No.:AA003R1R

39562-25-9 | Isopropyl 2-(3-nitrobenzylidene)acetoacetate

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
95%
in stock  
$80.00   $56.00
- +
5g
95%
in stock  
$262.00   $184.00
- +
25g
95%
in stock  
$558.00   $390.00
- +
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  • Technical Information
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Technical Information
Catalog Number:
AA003R1R
Chemical Name:
Isopropyl 2-(3-nitrobenzylidene)acetoacetate
CAS Number:
39562-25-9
Molecular Formula:
C14H15NO5
Molecular Weight:
277.2726
MDL Number:
MFCD01234175
SMILES:
CC(OC(=O)/C(=C/c1cccc(c1)[N+](=O)[O-])/C(=O)C)C
Properties
Properties
 
BP:
404.9°C at 760 mmHg  
Storage:
Keep in dry area;2-8℃;  

Computed Properties
 
Complexity:
422  
Covalently-Bonded Unit Count:
1  
Defined Bond Stereocenter Count:
1  
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
5  
Rotatable Bond Count:
5  
XLogP3:
2.6  

Literature
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Additional Info:
SDS
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Tags:39562-25-9 Molecular Formula|39562-25-9 MDL|39562-25-9 SMILES|39562-25-9 Isopropyl 2-(3-nitrobenzylidene)acetoacetate