Back to Search
Molecule
Magnesite
CAS: 13717-00-5 · CH2MgO3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 13717-00-5
- Molecular Formula
- CH2MgO3
- Molecular Mass
- 86.33 g/mol
Identifiers
CAS Registry Number
13717-00-5
SMILES
O=C(O)O.[Mg]
InChI Key
XNEYCQMMVLAXTN-UHFFFAOYSA-N
InChI
InChI=1S/CH2O3.Mg/c2-1(3)4;/h(H2,2,3,4);
Names and Synonyms
- Magnesite Common Name
- Magnesite (Mg(CO3)) Synonym
- Australian magnesite Synonym
- Magnesite Synonym
- Giobertite Synonym
- LH 1253 Synonym
- SH 123L Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 86.33 g/mol | CAS Common Chemistry |
| 86.32900000000001 g/mol | RDKit | |
| 86.329 g/mol | RDKit | |
| 88.345 g/mol | chempirical lib | |
| Density | 3.00 g/cm³ | CAS Common Chemistry |
| 3.001 g/cm3 | CAS Common Chemistry | |
| Canonical SMILES | [Mg].O=C(O)O | CAS Common Chemistry |
| InChI | InChI=1S/CH2O3.Mg/c2-1(3)4;/h(H2,2,3,4); | CAS Common Chemistry |
| InChI Key | InChIKey=XNEYCQMMVLAXTN-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 2200 °C | CAS Common Chemistry |
| Name | Magnesite | CAS Common Chemistry |
| Heavy Atom Count | 5 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 57.53 Ų | RDKit |
| LogP | -0.15839999999999999 | RDKit |
| -0.1584 | RDKit | |
| Molar Refractivity | 16.4076 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 85.98543562399999 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
Convert
Quick conversion
MW = 86.33 g/mol; density = 3.000 g/mL. Edit any field — others recompute live.
