Magnesium Carbonate Hydroxide

Synopsis, Chemistry

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Also known as: Schembl120120, Akos025295284

Molecular Formula

CH₂MgO₄

Molecular Weight

102.33 g/mol

InChI Key

OUHCLAKJJGMPSW-UHFFFAOYSA-L

1 2D Structure

Magnesium Carbonate Hydroxide

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

magnesium;hydrogen carbonate;hydroxide

2.1.2 InChI

InChI=1S/CH2O3.Mg.H2O/c2-1(3)4;;/h(H2,2,3,4);;1H2/q;+2;/p-2

2.1.3 InChI Key

OUHCLAKJJGMPSW-UHFFFAOYSA-L

2.1.4 Canonical SMILES

C(=O)(O)[O-].[OH-].[Mg+2]

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. Schembl120120

2. Akos025295284

2.3 Create Date

2011-11-07

3 Chemical and Physical Properties

Molecular Formula	CH₂MgO₄
Molecular Weight	102.33 g/mol
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	0
Exact Mass	101.9803502 g/mol
Monoisotopic Mass	101.9803502 g/mol
Topological Polar Surface Area	61.4 Å²
Heavy Atom Count	6
Formal Charge	0
Complexity	24.8
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	3