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Almagate
CAS: 66827-12-1 | CH3AlMgO5-3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
66827-12-1
Molecular Formula:
CH3AlMgO5-3
Molecular Weight:
146.317 g/mol
Names and Synonyms:
Almagate
Aluminum magnesium carbonate hydroxide (AlMg3(CO3)(OH)7), hydrate (1:2)
Magnesium, [carbonato(2-)]heptahydroxy(aluminum)tri-, dihydrate
Aluminum magnesium carbonate hydroxide (AlMg3(CO3)(OH)7), dihydrate
Carbonic acid, aluminum-magnesium complex
Almagate
Almax
LAS 3876
Almax (antacid)
Identifiers:
SMILES:
O.O=C([O-])[O-].[Al].[Mg].[OH-]
InChI:
InChI=1S/CH2O3.Al.Mg.2H2O/c2-1(3)4;;;;/h(H2,2,3,4);;;2*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
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 146.317 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 145.96627426573 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 8 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 | 124.69 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | -4.210099999999999 | RDKit |
| molecular_mass | 146.32 g/mol | Legacy Database |
| cas-canonical-smile | [Mg].[Al].[OH-].O=C([O-])[O-].O None | Legacy Database |
| cas-inchi | InChI=1S/CH2O3.Al.Mg.2H2O/c2-1(3)4;;;;/h(H2,2,3,4);;;2*1H2/p-3 None | Legacy Database |
| cas-inchi-key | InChIKey=NSGJDSJCJMRMEA-UHFFFAOYSA-K None | Legacy Database |
| cas-name | Almagate None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 22.453599999999994 | RDKit |
