Home Nitros Dimethyl nitromalonate

Dimethyl nitromalonate

CAS No.:
5437-67-2
Catalog Number:
AG00D8BS
Molecular Formula:
C5H7NO6
Molecular Weight:
177.1122
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
96%
In Stock USA
United States
$32
- +
5g
96%
In Stock USA
United States
$85
- +
25g
95%
In Stock USA
United States
$250
- +
100g
96%
In Stock USA
United States
$600
- +
Product Description
Catalog Number:
AG00D8BS
Chemical Name:
Dimethyl nitromalonate
CAS Number:
5437-67-2
Molecular Formula:
C5H7NO6
Molecular Weight:
177.1122
MDL Number:
MFCD00010228
IUPAC Name:
dimethyl 2-nitropropanedioate
InChI:
InChI=1S/C5H7NO6/c1-11-4(7)3(6(9)10)5(8)12-2/h3H,1-2H3
InChI Key:
GLKRAUOJZYHDSB-UHFFFAOYSA-N
SMILES:
COC(=O)C(C(=O)OC)[N+](=O)[O-]
NSC Number:
16174
Properties
Complexity:
191  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.027g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
177.112g/mol
Monoisotopic Mass:
177.027g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
98.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2  
Properties