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2D Structure
Also known as: Schembl120120, Akos025295284
Molecular Formula
CH2MgO4
Molecular Weight
102.33  g/mol
InChI Key
OUHCLAKJJGMPSW-UHFFFAOYSA-L

1 2D Structure

2D Structure

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 Weight 102.33 g/mol
Molecular Formula CH2MgO4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Exact Mass101.9803502 g/mol
Monoisotopic Mass101.9803502 g/mol
Topological Polar Surface Area61.4 Ų
Heavy Atom Count6
Formal Charge0
Complexity24.8
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count3