(T-4)-Bis[mono[(4-nitrophenyl)methyl] propanedioato-κO3,κO′1]magnesium

C₂₀H₁₆MgN₂O₁₂CAS 83972-01-4500.66 g/mol

Open in Covalent MOL file

Ester Nitro Tertiary Amine

Properties

Molecular formula: C₂₀H₁₆MgN₂O₁₂
Molar mass: 500.66 g/mol
Exact mass: 500.0554 Da
logP: -0.82Crippen estimate
Polar surface area: 219.1 Å²
H-bond donors / acceptors: 0 / 12
Rotatable bonds: 10

Identifiers

CAS number

83972-01-4

SMILES

O=C([O-])CC(=O)OCc1ccc([N+](=O)[O-])cc1.O=C([O-])CC(=O)OCc1ccc([N+](=O)[O-])cc1.[Mg+2]

InChIKey

WAFDWKYNSTVECG-UHFFFAOYSA-L

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

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Names and synonyms

6 names

Magnesium, bis[mono[(4-nitrophenyl)methyl] propanedioato-κO3,κO′1]-, (T-4)-
Magnesium, bis[mono[(4-nitrophenyl)methyl] propanedioato]-, (T-4)-
Magnesium, bis[mono[(4-nitrophenyl)methyl] propanedioato-κO1′,κO3]-, (T-4)-
Propanedioic acid, mono[(4-nitrophenyl)methyl] ester, magnesium complex
Magnesium p-nitrobenzyl malonate
Magnesium 4-nitrobenzyl malonate

Work with (T-4)-Bis[mono[(4-nitrophenyl)methyl] propanedioato-κO3,κO′1]magnesium

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Elsewhere

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