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Molecule
Almagate
CAS: 66827-12-1 · CH3AlMgO5-3
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 66827-12-1
- Molecular Formula
- CH3AlMgO5-3
- Molecular Mass
- 146.32 g/mol
Identifiers
CAS Registry Number
66827-12-1
SMILES
O.O=C([O-])[O-].[Al].[Mg].[OH-]
InChI Key
NSGJDSJCJMRMEA-UHFFFAOYSA-K
InChI
InChI=1S/CH2O3.Al.Mg.2H2O/c2-1(3)4;;;;/h(H2,2,3,4);;;2*1H2/p-3
Names and Synonyms
- Almagate Synonym
- Aluminum magnesium carbonate hydroxide (AlMg3(CO3)(OH)7), hydrate (1:2) Synonym
- Magnesium, [carbonato(2-)]heptahydroxy(aluminum)tri-, dihydrate Synonym
- Aluminum magnesium carbonate hydroxide (AlMg3(CO3)(OH)7), dihydrate Synonym
- Carbonic acid, aluminum-magnesium complex Synonym
- Almagate Synonym
- Almax Synonym
- LAS 3876 Synonym
- Almax (antacid) Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 146.32 g/mol | CAS Common Chemistry |
| 146.317 g/mol | RDKit | |
| 151.357 g/mol | chempirical lib | |
| Canonical SMILES | [Mg].[Al].[OH-].O=C([O-])[O-].O | CAS Common Chemistry |
| InChI | InChI=1S/CH2O3.Al.Mg.2H2O/c2-1(3)4;;;;/h(H2,2,3,4);;;2*1H2/p-3 | CAS Common Chemistry |
| InChI Key | InChIKey=NSGJDSJCJMRMEA-UHFFFAOYSA-K | CAS Common Chemistry |
| Name | Almagate | CAS Common Chemistry |
| Heavy Atom Count | 8 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 124.69 Ų | RDKit |
| LogP | -4.210099999999999 | RDKit |
| -4.2101 | RDKit | |
| Molar Refractivity | 22.453599999999994 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | -3 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 145.96627426573 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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3
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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140
120
100
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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.
External Resources
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MW = 146.32 g/mol. Edit any field — others recompute live.
