AG0036DX

83972-01-4 | Magnesium 3-((4-nitrobenzyl)oxy)-3-oxopropanoate

AG0036DX

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CAS Number	83972-01-4
Catalog Number	AG0036DX(AGN-PC-0UQ11Q)
Chemical Name	Magnesium 3-((4-nitrobenzyl)oxy)-3-oxopropanoate
EC Number	281-602-2
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
MDL Number	MFCD00060141
Molecular Formula	C20H16MgN2O12
Molecular Weight	500.6522
SMILES	[O-]C(=O)CC(=O)OCc1ccc(cc1)[N+](=O)[O-].[O-]C(=O)CC(=O)OCc1ccc(cc1)[N+](=O)[O-].[Mg+2]
Synonyms	Magnesium mono-p-nitrobenzyl malonate, 83972-01-4, Magnesium 4-Nitrobenzyl Malonate, 75321-09-4, magnesium salt ascorbic acid phosphate, Magnesium 3-((4-nitrobenzyl)oxy)-3-oxopropanoate, magnesium p-nitrobenzyl malonate, Malonic Acid Mono-4-nitrobenzyl Ester Magnesium Salt, magnesium 3-(4-nitrobenzyloxy)-3-oxopropanoate, W-104127, MFCD00060141, magnesium 3-[(4-nitrophenyl)methoxy]-3-oxopropanoate, C20H16MgN2O12, magnesium 3-[(4-nitrophenyl)methoxy]-3-oxidanylidene-propanoate, PubChem7450, bis[p-nitrobenzyl hydrogen malonato]magnesium, KSC497Q8H, SCHEMBL1919596, CTK3J7883, WAFDWKYNSTVECG-UHFFFAOYSA-L, KS-000011FH, KM2188, magnesium mono-4-nitrobenzyl malonate, AKOS015839493, AKOS015964396, AC-1654, RL05173, RP17772, RTR-026040, AN-14705, AS-14796, M627, anhydrousmagnesiummono-4-nitrobenzylmalonate, TR-026040, FT-0641560, FT-0659825, M0938, malonic acid p-nitrobenzyl ester magnesium salt, anhydrous magnesium mono-p-nitro-benzyl malonate, A838381, A840695, Bis[malonic acid 1-(p-nitrobenzyl)]magnesium salt, I06-1162, Magnesium 3-[(4-nitrophenyl)methoxy]-3-oxo-propanoate, Magnesium (T-4)-propanedioato]-bis[mono[(4-nitrophenyl)methyl], Magnesiummono-p-nitrobenzylmalonate, EINECS 281-602-2, C20-H16-Mg-N2-O12, Anhydrous magnesium mono-p-nitrobenzyl malonate, Bis(p-nitrobenzyl hydrogen malonato)magnesium, MALONICACIDMONO-4-NITROBENZYLESTERMAGNESIUMSALT,

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

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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