Malonic acid 4-nitrobenzyl ester magnesium salt

Catalog Number	ACM83972014
CAS	83972-01-4
Structure
Synonyms	Magnesium;3-[(4-nitrophenyl)methoxy]-3-oxopropanoate
Molecular Weight	500.7
Molecular Formula	C20H16MgN2O12
Canonical SMILES	C1=CC(=CC=C1COC(=O)CC(=O)[O-])[N+](=O)[O-].C1=CC(=CC=C1COC(=O)CC(=O)[O-])[N+](=O)[O-].[Mg+2]
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
Purity	98%+
Exact Mass	500.0553656
Hydrogen Bond Acceptor Count	12
Hydrogen Bond Donor Count	0
Monoisotopic Mass	500.0553656
Rotatable Bond Count	8
Topological Polar Surface Area	225 Ų