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Magnesium Carbonate Hydroxide
CAS: 12125-28-9 | CHMgO4-3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
12125-28-9
Molecular Formula:
CHMgO4-3
Molecular Weight:
101.32 g/mol
Names and Synonyms:
Magnesium Carbonate Hydroxide
Magnesium carbonate hydroxide
Basic magnesium carbonate
Kinsei
Marimo BC 6
MC-L 1P
MgTube
Identifiers:
SMILES:
O=C([O-])[O-].[Mg].[OH-]
InChI:
InChI=1S/CH2O3.Mg.H2O/c2-1(3)4;;/h(H2,2,3,4);;1H2/p-3
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 101.32 g/mol | Legacy Database |
| cas-canonical-smile | [Mg].[OH-].O=C([O-])[O-] None | Legacy Database |
| cas-inchi | InChI=1S/CH2O3.Mg.H2O/c2-1(3)4;;/h(H2,2,3,4);;1H2/p-3 None | Legacy Database |
| cas-inchi-key | InChIKey=RERJDXWWVICIRN-UHFFFAOYSA-K None | Legacy Database |
| cas-name | Magnesium carbonate hydroxide None | Legacy Database |
| LogP | -3.0046 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 101.32 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 100.97417095173 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 6 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 4 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 0 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 93.19 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 13.085799999999999 | RDKit |
