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Molecule
Carbonic Acid, Magnesium Salt (1:1), Mixt. With Magnesium Hydroxide (Mg(Oh)2), Hydrate
CAS: 39409-82-0 · CH6Mg2O6
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 39409-82-0
- Molecular Formula
- CH6Mg2O6
- Molecular Mass
- 162.66 g/mol
Identifiers
CAS Registry Number
39409-82-0
SMILES
O.O.O.O=C([O-])[O-].[Mg+2].[Mg]
InChI Key
HFFXHCTWULUPLQ-UHFFFAOYSA-L
InChI
InChI=1S/CH2O3.2Mg.3H2O/c2-1(3)4;;;;;/h(H2,2,3,4);;;3*1H2/q;;+2;;;/p-2
Names and Synonyms
- Carbonic Acid, Magnesium Salt (1:1), Mixt. With Magnesium Hydroxide (Mg(Oh)2), Hydrate Synonym
- Carbonic acid, magnesium salt (1:1), mixt. with magnesium hydroxide (Mg(OH)2), hydrate Synonym
- Carbonic acid, magnesium salt (1:1), mixt. with magnesium hydroxide, hydrate Synonym
- Magnesium carbonate hydroxide Synonym
- Magnesium hydroxide, mixt. contg. Synonym
- Magnesium hydroxide (Mg(OH)2), mixt. contg. Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 162.66 g/mol | CAS Common Chemistry |
| 162.66299999999998 g/mol | RDKit | |
| 162.663 g/mol | RDKit | |
| 168.711 g/mol | chempirical lib | |
| Canonical SMILES | [Mg].O=C(O)O.O.O[Mg]O | CAS Common Chemistry |
| InChI | InChI=1S/CH2O3.2Mg.3H2O/c2-1(3)4;;;;;/h(H2,2,3,4);;;3*1H2/q;;+2;;;/p-2 | CAS Common Chemistry |
| InChI Key | InChIKey=HFFXHCTWULUPLQ-UHFFFAOYSA-L | CAS Common Chemistry |
| Name | Carbonic acid, magnesium salt (1:1), mixt. with magnesium hydroxide (Mg(OH)2), hydrate | CAS Common Chemistry |
| Heavy Atom Count | 9 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 157.69 Ų | RDKit |
| LogP | -5.682699999999998 | RDKit |
| -5.6827 | RDKit | |
| Molar Refractivity | 27.745399999999997 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 161.986521312 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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20
0 ppm
| 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 = 162.66 g/mol. Edit any field — others recompute live.
