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Home Nitros Ethyl 4-nitrobenzoylacetate

Ethyl 4-nitrobenzoylacetate

CAS No.:
838-57-3
Catalog Number:
AG0034VG
Molecular Formula:
C11H11NO5
Molecular Weight:
237.2087
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
In Stock USA
United States
$160
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25g
In Stock USA
United States
$310
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Product Description
Catalog Number:
AG0034VG
Chemical Name:
Ethyl 4-nitrobenzoylacetate
CAS Number:
838-57-3
Molecular Formula:
C11H11NO5
Molecular Weight:
237.2087
MDL Number:
MFCD00007357
IUPAC Name:
ethyl 3-(4-nitrophenyl)-3-oxopropanoate
InChI:
InChI=1S/C11H11NO5/c1-2-17-11(14)7-10(13)8-3-5-9(6-4-8)12(15)16/h3-6H,2,7H2,1H3
InChI Key:
NGRXSVFCLHVGKU-UHFFFAOYSA-N
SMILES:
CCOC(=O)CC(=O)c1ccc(cc1)[N+](=O)[O-]
EC Number:
212-656-7
NSC Number:
62134
Properties
Complexity:
302  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.064g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
237.211g/mol
Monoisotopic Mass:
237.064g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
89.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Literature
Title Journal
Reaction of iodonium ylides of 1,3-dicarbonyl compounds with HF reagents. Molecules (Basel, Switzerland) 20120531
(Z)-Ethyl 2-hydroxy-imino-2-(4-nitro-benz-yl)ethanoate. Acta crystallographica. Section E, Structure reports online 20100101
Properties