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Molybdenum Disilicide
CAS: 12136-78-6 | MoSi2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
12136-78-6
Molecular Formula:
MoSi2
Molecular Weight:
152.112 g/mol
Names and Synonyms:
Molybdenum Disilicide
Molybdenum silicide (MoSi2)
Molybdenum disilicide (MoSi2)
Molybdenum disilicide
MS (silicide)
MS
GMY 180-17
CW-MoSi2-002
CW-MoSi 2-002
Identifiers:
SMILES:
[Mo].[Si].[Si]
InChI:
InChI=1S/Mo.2Si
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
| Category | Property | Value | Source |
|---|---|---|---|
| Physical Properties | molecular_mass | 152.11 g/mol | Legacy Database |
| density | 6.31 g/cm³ | Legacy Database | |
| wikipedia_url | https://en.wikipedia.org/wiki/Molybdenum_disilicide | Legacy Database | |
| cas-canonical-smile | [Si]#[Mo]#[Si] | Legacy Database | |
| cas-density | 6.31 g/cm3 | Legacy Database | |
| cas-inchi | InChI=1S/Mo.2Si | Legacy Database | |
| cas-inchi-key | InChIKey=YXTPWUNVHCYOSP-UHFFFAOYSA-N | Legacy Database | |
| cas-melting-point | 1930 °C (approx) | Legacy Database | |
| cas-name | Molybdenum silicide (MoSi2) | Legacy Database | |
| wikipedia-name | Molybdenum disilicide | Legacy Database | |
| LogP | -0.7641 | RDKit | |
| Molecular | Molecular Weight | 152.112 g/mol | RDKit |
| Exact | Exact Molecular Weight | 153.85926125999998 g/mol | RDKit |
| Heavy | Heavy Atom Count | 3 count | RDKit |
| Hydrogen | Hydrogen Bond Acceptors | 0 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit | |
| Rotatable | Rotatable Bonds | 0 count | RDKit |
| Aromatic | Aromatic Ring Count | 0 count | RDKit |
| Topological | Topological Polar Surface Area | 0.0 Ų | RDKit |
| Molar | Molar Refractivity | 11.508 | RDKit |
