Record Information
Version1.0
Creation Date2016-05-25 22:52:05 UTC
Update Date2016-11-09 01:18:14 UTC
Accession NumberCHEM026226
Identification
Common NameMagnesium oxalate
ClassSmall Molecule
DescriptionNot Available
Contaminant Sources
  • FooDB Chemicals
Contaminant TypeNot Available
Chemical Structure
Thumb
Synonyms
ValueSource
Magnesium(2+) ion oxalic acidGenerator
Iron (2+) oxalate (1:1)MeSH
Monoammonium oxalateMeSH
Oxalate, aluminumMeSH
Oxalate, monoammoniumMeSH
Dilithium oxalateMeSH
Magnesium oxalateMeSH
Monosodium oxalateMeSH
Oxalate, diammoniumMeSH
Oxalate, disodiumMeSH
Oxalate, monosodiumMeSH
Oxalic acidMeSH
Dipotassium oxalateMeSH
Monopotassium oxalateMeSH
Oxalate, potassiumMeSH
Potassium chromium oxalateMeSH
Aluminum oxalateMeSH
Chromium (2+) oxalateMeSH
Iron (3+) oxalateMeSH
Magnesium oxalate (1:1)MeSH
Monohydrogen monopotassium oxalateMeSH
Oxalate, chromiumMeSH
Oxalate, dilithiumMeSH
Acid, oxalicMeSH
Chromium oxalateMeSH
Manganese (2+) oxalate (1:1)MeSH
Oxalate, dipotassiumMeSH
Chromium (3+) oxalate (3:2)MeSH
Iron oxalateMeSH
Diammonium oxalateMeSH
Disodium oxalateMeSH
Oxalate, ferricMeSH
Potassium oxalateMeSH
Ammonium oxalateMeSH
Ferric oxalateMeSH
Oxalate, ironMeSH
Oxalate, magnesiumMeSH
Oxalate, monohydrogen monopotassiumMeSH
Oxalate, monopotassiumMeSH
Oxalate, potassium chromiumMeSH
Oxalate, sodiumMeSH
Potassium oxalate (2:1)MeSH
Sodium oxalateMeSH
Magnesium oxalic acidGenerator
Chemical FormulaC2MgO4
Average Molecular Mass112.323 g/mol
Monoisotopic Mass111.965 g/mol
CAS Registry NumberNot Available
IUPAC Namemagnesium(2+) ion oxalate
Traditional Namemagnesium(2+) ion oxalate
SMILES[Mg++].[O-]C(=O)C([O-])=O
InChI IdentifierInChI=1S/C2H2O4.Mg/c3-1(4)2(5)6;/h(H,3,4)(H,5,6);/q;+2/p-2
InChI KeyUHNWOJJPXCYKCG-UHFFFAOYSA-L
Chemical Taxonomy
Description belongs to the class of organic compounds known as dicarboxylic acids and derivatives. These are organic compounds containing exactly two carboxylic acid groups.
KingdomOrganic compounds
Super ClassOrganic acids and derivatives
ClassCarboxylic acids and derivatives
Sub ClassDicarboxylic acids and derivatives
Direct ParentDicarboxylic acids and derivatives
Alternative Parents
Substituents
  • Dicarboxylic acid or derivatives
  • Carboxylic acid salt
  • Carboxylic acid
  • Organic oxygen compound
  • Organic oxide
  • Hydrocarbon derivative
  • Organic salt
  • Organooxygen compound
  • Carbonyl group
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External DescriptorsNot Available
Biological Properties
StatusDetected and Not Quantified
OriginNot Available
Cellular LocationsNot Available
Biofluid LocationsNot Available
Tissue LocationsNot Available
PathwaysNot Available
ApplicationsNot Available
Biological RolesNot Available
Chemical RolesNot Available
Physical Properties
StateNot Available
AppearanceNot Available
Experimental Properties
PropertyValue
Melting PointNot Available
Boiling PointNot Available
SolubilityNot Available
Predicted Properties
PropertyValueSource
Water Solubility12.5 g/LALOGPS
logP0.33ALOGPS
logP-0.26ChemAxon
logS-1.1ALOGPS
pKa (Strongest Acidic)1.36ChemAxon
Physiological Charge-2ChemAxon
Hydrogen Acceptor Count4ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area80.26 ŲChemAxon
Rotatable Bond Count1ChemAxon
Refractivity36.11 m³·mol⁻¹ChemAxon
Polarizability5.46 ųChemAxon
Number of Rings0ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Spectra
Spectra
Spectrum TypeDescriptionSplash KeyView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-03di-0900000000-f291e202899530c63aa2Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-03di-0900000000-f291e202899530c63aa2Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-03di-0900000000-f291e202899530c63aa2Spectrum
Toxicity Profile
Route of ExposureNot Available
Mechanism of ToxicityNot Available
MetabolismNot Available
Toxicity ValuesNot Available
Lethal DoseNot Available
Carcinogenicity (IARC Classification)Not Available
Uses/SourcesNot Available
Minimum Risk LevelNot Available
Health EffectsNot Available
SymptomsNot Available
TreatmentNot Available
Concentrations
Not Available
DrugBank IDNot Available
HMDB IDHMDB0302914
FooDB IDFDB006864
Phenol Explorer IDNot Available
KNApSAcK IDNot Available
BiGG IDNot Available
BioCyc IDNot Available
METLIN IDNot Available
PDB IDNot Available
Wikipedia LinkNot Available
Chemspider ID61648
ChEBI IDNot Available
PubChem Compound IDNot Available
Kegg Compound IDNot Available
YMDB IDNot Available
ECMDB IDNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available