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Home Nitros Methyl 4-nitrobutanoate

Methyl 4-nitrobutanoate

CAS No.:
13013-02-0
Catalog Number:
AG000U2A
Molecular Formula:
C5H9NO4
Molecular Weight:
147.1293
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$38
- +
5g
98%
In Stock USA
United States
$94
- +
10g
98%
In Stock USA
United States
$175
- +
25g
98%
In Stock USA
United States
$282
- +
100g
98%
In Stock USA
United States
$975
- +
Product Description
Catalog Number:
AG000U2A
Chemical Name:
Methyl 4-nitrobutanoate
CAS Number:
13013-02-0
Molecular Formula:
C5H9NO4
Molecular Weight:
147.1293
MDL Number:
MFCD00007408
IUPAC Name:
methyl 4-nitrobutanoate
InChI:
InChI=1S/C5H9NO4/c1-10-5(7)3-2-4-6(8)9/h2-4H2,1H3
InChI Key:
UBSPKGKFFQKZJB-UHFFFAOYSA-N
SMILES:
COC(=O)CCC[N+](=O)[O-]
EC Number:
235-866-0
NSC Number:
126459
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:
0.6  
Literature
Title Journal
Enantioselective Henry addition of methyl 4-nitrobutyrate to aldehydes. Chiral building blocks for 2-pyrrolidinones and other derivatives. Organic letters 20100702
Synthesis of gamma-nitro aliphatic methyl esters via Michael additions promoted by microwave irradiation. Molecules (Basel, Switzerland) 20090421
Properties