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Molecule
Methylrhenium Trioxide
CAS: 70197-13-6 · CH3O3Re
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 70197-13-6
- Molecular Formula
- CH3O3Re
- Molecular Mass
- 249.24 g/mol
Identifiers
CAS Registry Number
70197-13-6
SMILES
[CH3].[O].[O].[O].[Re]
InChI Key
PQTLALPZRPFYIT-UHFFFAOYSA-N
InChI
InChI=1S/CH3.3O.Re/h1H3;;;;
Names and Synonyms
- Methylrhenium Trioxide Common Name
- Rhenium, methyltrioxo-, (T-4)- Synonym
- Methylrhenium trioxide Synonym
- Methyltrioxorhenium Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 249.24 g/mol | CAS Common Chemistry |
| 249.96397205600002 g/mol | RDKit | |
| 249.239 g/mol | RDKit | |
| 259.319 g/mol | chempirical lib | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Methylrhenium_trioxide | CAS Common Chemistry |
| Canonical SMILES | O=[Re](=O)(=O)C | CAS Common Chemistry |
| InChI | InChI=1S/CH3.3O.Re/h1H3;;;; | CAS Common Chemistry |
| InChI Key | InChIKey=PQTLALPZRPFYIT-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Methyltrioxorhenium | CAS Common Chemistry |
| Heavy Atom Count | 5 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 85.5 Ų | RDKit |
| LogP | 0.09138999999999997 | RDKit |
| 0.0914 | RDKit | |
| Molar Refractivity | 8.4735 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 249.239 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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140
120
100
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40
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 = 249.24 g/mol. Edit any field — others recompute live.
