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Molecule
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 Mass
- 101.32 g/mol
Identifiers
CAS Registry Number
12125-28-9
SMILES
O=C([O-])[O-].[Mg].[OH-]
InChI Key
RERJDXWWVICIRN-UHFFFAOYSA-K
InChI
InChI=1S/CH2O3.Mg.H2O/c2-1(3)4;;/h(H2,2,3,4);;1H2/p-3
Names and Synonyms
- Magnesium Carbonate Hydroxide Synonym
- Magnesium carbonate hydroxide Synonym
- Basic magnesium carbonate Synonym
- Kinsei Synonym
- Marimo BC 6 Synonym
- MC-L 1P Synonym
- MgTube Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 101.32 g/mol | CAS Common Chemistry |
| 103.336 g/mol | chempirical lib | |
| Canonical SMILES | [Mg].[OH-].O=C([O-])[O-] | CAS Common Chemistry |
| InChI | InChI=1S/CH2O3.Mg.H2O/c2-1(3)4;;/h(H2,2,3,4);;1H2/p-3 | CAS Common Chemistry |
| InChI Key | InChIKey=RERJDXWWVICIRN-UHFFFAOYSA-K | CAS Common Chemistry |
| Name | Magnesium carbonate hydroxide | CAS Common Chemistry |
| Heavy Atom Count | 6 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 93.19 Ų | RDKit |
| LogP | -3.0046 | RDKit |
| Molar Refractivity | 13.085799999999999 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | -3 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 100.97417095173 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 101.32 g/mol. Edit any field — others recompute live.
