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Home > Nitro Compounds > 83972-01-4
83972-01-4 | Magnesium mono-p-nitrobenzyl malonate
CAS No: 83972-01-4 Catalog No: AG0036DX MDL No:MFCD00060141
Product Description
Catalog Number:
AG0036DX
Chemical Name:
Magnesium mono-p-nitrobenzyl malonate
CAS Number:
83972-01-4
Molecular Formula:
C20H16MgN2O12
Molecular Weight:
500.6522
MDL Number:
MFCD00060141
IUPAC Name:
magnesium;3-[(4-nitrophenyl)methoxy]-3-oxopropanoate
InChI:
InChI=1S/2C10H9NO6.Mg/c2*12-9(13)5-10(14)17-6-7-1-3-8(4-2-7)11(15)16;/h2*1-4H,5-6H2,(H,12,13);/q;;+2/p-2
InChI Key:
WAFDWKYNSTVECG-UHFFFAOYSA-L
SMILES:
[O-]C(=O)CC(=O)OCc1ccc(cc1)[N+](=O)[O-].[O-]C(=O)CC(=O)OCc1ccc(cc1)[N+](=O)[O-].[Mg+2]
EC Number:
281-602-2
Properties
Complexity:
297
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
500.055g/mol
Formal Charge:
0
Heavy Atom Count:
35
Hydrogen Bond Acceptor Count:
12
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
500.655g/mol
Monoisotopic Mass:
500.055g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
225A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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