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Diethyl nitromalonate

CAS No.:
603-67-8
Catalog Number:
AG003PH2
Molecular Formula:
C7H11NO6
Molecular Weight:
205.1653
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Product Description
Catalog Number:
AG003PH2
Chemical Name:
Diethyl nitromalonate
CAS Number:
603-67-8
Molecular Formula:
C7H11NO6
Molecular Weight:
205.1653
MDL Number:
MFCD00009142
IUPAC Name:
diethyl 2-nitropropanedioate
InChI:
InChI=1S/C7H11NO6/c1-3-13-6(9)5(8(11)12)7(10)14-4-2/h5H,3-4H2,1-2H3
InChI Key:
DAKKWKYIQGMKOS-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(C(=O)OCC)[N+](=O)[O-]
EC Number:
210-052-8
NSC Number:
140874
Properties
Complexity:
215  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.059g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
205.166g/mol
Monoisotopic Mass:
205.059g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
98.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Properties