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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
>97%
in stock  
$136.00   $95.00
- +
25g
>97%
in stock  
$286.00   $200.00
- +
  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Download SDS
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 Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
1  
Formal Charge:
0  
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0  
Isotope Atom Count:
0  
Rotatable Bond Count:
5  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
2.6  

Literature
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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
Catalog No.: AA003R1R
39562-25-9,MFCD01234175
39562-25-9 | Isopropyl 2-(3-nitrobenzylidene)acetoacetate
Pack Size： 1g
Purity： 95%
in stock
$80.00 $56.00
Pack Size： 5g
Purity： >97%
in stock
$136.00 $95.00
Pack Size： 25g
Purity： >97%
in stock
$286.00 $200.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
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
BP: 404.9°C at 760 mmHg  
Storage: Keep in dry area;2-8℃;  
Complexity: 422  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 1  
Formal Charge: 0  
Heavy Atom Count: 20  
Hydrogen Bond Acceptor Count: 5  
Hydrogen Bond Donor Count: 0  
Isotope Atom Count: 0  
Rotatable Bond Count: 5  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 2.6  
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