ContaminantDB: Magnesite (Mg(CO3))

Identification Taxonomy Biological Properties Physical Properties Toxicity Profile Spectra Concentrations Links References XML

Record Information

Version

1.0

Creation Date

2016-05-19 03:16:05 UTC

Update Date

2016-11-09 01:14:07 UTC

Accession Number

CHEM010072

Identification

Common Name

Magnesite (Mg(CO3))

Class

Small Molecule

Description

A magnesium salt with formula CMgO3. Its hydrated forms, particularly the di-, tri-, and tetrahydrates occur as minerals.

Contaminant Sources

HPV EPA Chemicals

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
Magnesium carbonate anhydrous	ChEBI
Magnesiumkarbonat	ChEBI
MgCO3	ChEBI
Magnesium carbonic acid anhydrous	Generator
Magnesium carbonic acid	Generator
MgCO3.3H2O	MeSH
Anhydrous magnesium carbonate	MeSH
Carbonic acid, magnesium salt (1:1), hydrate	MeSH
Magnesite	MeSH
Magnesite (MG(CO3))	MeSH
Magnesium carbonate (1:1) hydrate	MeSH
Nesquehonite	MeSH

Chemical Formula

CMgO₃

Average Molecular Mass

84.314 g/mol

Monoisotopic Mass

83.970 g/mol

CAS Registry Number

13717-00-5

IUPAC Name

magnesium(2+) ion carbonate

Traditional Name

magnesium(2+) ion carbonate

SMILES

[Mg++].[O-]C([O-])=O

InChI Identifier

InChI=1S/CH2O3.Mg/c2-1(3)4;/h(H2,2,3,4);/q;+2/p-2

InChI Key

ZLNQQNXFFQJAID-UHFFFAOYSA-L

Chemical Taxonomy

Description

belongs to the class of organic compounds known as organic carbonic acids. Organic carbonic acids are compounds comprising the carbonic acid functional group.

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Organic carbonic acids and derivatives

Sub Class

Organic carbonic acids

Direct Parent

Organic carbonic acids

Alternative Parents

Substituents

Carbonate salt
Carbonic acid
Organic oxygen compound
Organic oxide
Hydrocarbon derivative
Organic salt
Organooxygen compound
Carbonyl group
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

magnesium salt (CHEBI:31793 )
one-carbon compound (CHEBI:31793 )
carbonate salt (CHEBI:31793 )

Biological Properties

Status

Detected and Not Quantified

Origin

Not Available

Cellular Locations

Not Available

Biofluid Locations

Not Available

Tissue Locations

Not Available

Pathways

Not Available

Applications

Not Available

Biological Roles

Not Available

Chemical Roles

Not Available

Physical Properties

State

Not Available

Appearance

Not Available

Experimental Properties

Property	Value
Melting Point	Not Available
Boiling Point	Not Available
Solubility	Not Available

Predicted Properties

Property	Value	Source
Water Solubility	226 g/L	ALOGPS
logP	0.52	ALOGPS
logP	0.25	ChemAxon
logS	0.21	ALOGPS
pKa (Strongest Acidic)	6.05	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	3	ChemAxon
Hydrogen Donor Count	0	ChemAxon
Polar Surface Area	63.19 Å²	ChemAxon
Rotatable Bond Count	0	ChemAxon
Refractivity	31.17 m³·mol⁻¹	ChemAxon
Polarizability	3.52 Å³	ChemAxon
Number of Rings	0	ChemAxon
Bioavailability	1	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Spectra

Spectrum Type	Description	Splash Key	View
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive	splash10-001i-9000000000-276bc55d68e003ad601b	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-001i-9000000000-2033d7b913bb44287a9b	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-001i-9000000000-2033d7b913bb44287a9b	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-001i-9000000000-2033d7b913bb44287a9b	Spectrum

Toxicity Profile

Route of Exposure

Not Available

Mechanism of Toxicity

Not Available

Metabolism

Not Available

Toxicity Values

Not Available

Lethal Dose

Not Available

Carcinogenicity (IARC Classification)

Not Available

Uses/Sources

Not Available

Minimum Risk Level

Not Available

Health Effects

Not Available

Symptoms

Not Available

Treatment

Not Available

Concentrations

Not Available

External Links

DrugBank ID

DB09481

HMDB ID

HMDB0303411

FooDB ID

FDB013290

Phenol Explorer ID

Not Available

KNApSAcK ID

Not Available

BiGG ID

Not Available

BioCyc ID

Not Available

METLIN ID

Not Available

PDB ID

Not Available

Wikipedia Link

Chemspider ID

ChEBI ID

PubChem Compound ID

Kegg Compound ID

YMDB ID

Not Available

ECMDB ID

Not Available

References

Synthesis Reference

Not Available

MSDS

Not Available

General References

Not Available

Magnesite (Mg(CO3)) (CHEM010072)

Structure for CHEM010072: Magnesite (Mg(CO3))