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Home Nitros Ethyl 3-nitropropanoate

Ethyl 3-nitropropanoate

CAS No.:
3590-37-2
Catalog Number:
AG007DA1
Molecular Formula:
C5H9NO4
Molecular Weight:
147.1293
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
95%
1 week
United States
$350
- +
1g
95%
1 week
United States
$663
- +
5g
95%
1 week
United States
$2152
- +
Product Description
Catalog Number:
AG007DA1
Chemical Name:
Ethyl 3-nitropropanoate
CAS Number:
3590-37-2
Molecular Formula:
C5H9NO4
Molecular Weight:
147.1293
MDL Number:
MFCD00096267
IUPAC Name:
ethyl 3-nitropropanoate
InChI:
InChI=1S/C5H9NO4/c1-2-10-5(7)3-4-6(8)9/h2-4H2,1H3
InChI Key:
IIJLLHGPEZBIIT-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)CCC(=O)OCC
Properties
Complexity:
128  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
147.053g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
147.13g/mol
Monoisotopic Mass:
147.053g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2  
Literature
Title Journal
Double conjugate addition of a nitropropionate ester to a quinone monoketal: synthesis of an advanced intermediate to (+/-)-gelsemine. Organic letters 20070802
Regioselective single and double conjugate additions to substituted cyclohexa-2,5-dienone monoacetals. Organic letters 20050721
Properties