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Molecule
Almasilate
CAS: 71205-22-6 · H6AlMgO5Si
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 71205-22-6
- Molecular Formula
- H6AlMgO5Si
- Molecular Mass
- 165.42 g/mol
Identifiers
CAS Registry Number
71205-22-6
SMILES
O.O[Si](O)(O)O.[Al].[Mg]
InChI Key
KTUNHXNECGHQEB-UHFFFAOYSA-N
InChI
InChI=1S/Al.Mg.H4O4Si.H2O/c;;1-5(2,3)4;/h;;1-4H;1H2
Names and Synonyms
- Almasilate Synonym
- Silicic acid (H4SiO4), aluminum magnesium salt (2:2:1), hydrate Synonym
- Aluminosilicic acid (HAlSiO4), magnesium salt, hydrate Synonym
- Almasilate Synonym
- Malinal Synonym
- SC 306 Synonym
- SC 306 (lubricant) Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 165.42 g/mol | CAS Common Chemistry |
| 165.416 g/mol | RDKit | |
| 170.456 g/mol | chempirical lib | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Almasilate | CAS Common Chemistry |
| Canonical SMILES | [Mg].[Al].O.O[Si](O)(O)O | CAS Common Chemistry |
| InChI | InChI=1S/Al.Mg.H4O4Si.H2O/c;;1-5(2,3)4;/h;;1-4H;1H2 | CAS Common Chemistry |
| InChI Key | InChIKey=KTUNHXNECGHQEB-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Silicic acid (H4SiO4), aluminum magnesium salt (2:2:1), hydrate | CAS Common Chemistry |
| Heavy Atom Count | 8 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 4 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 112.42000000000002 Ų | RDKit |
| 112.42 Ų | RDKit | |
| LogP | -4.1951 | RDKit |
| Molar Refractivity | 29.750999999999998 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 164.965030152 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
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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.
External Resources
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MW = 165.42 g/mol. Edit any field — others recompute live.
