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Molecule
Molybdate (Moo42-), Cesium (1:2), (T-4)-
CAS: 13597-64-3 · Cs2MoO4
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 13597-64-3
- Molecular Formula
- Cs2MoO4
- Molecular Mass
- 425.75 g/mol
Identifiers
CAS Registry Number
13597-64-3
SMILES
[Cs+].[Cs+].[Mo-2].[O].[O].[O].[O]
InChI Key
KSBUNVKONMLLQX-UHFFFAOYSA-N
InChI
InChI=1S/2Cs.Mo.4O/q2*+1;-2;;;;
Names and Synonyms
- Molybdate (Moo42-), Cesium (1:2), (T-4)- Systematic Name
- Molybdate (MoO42-), cesium (1:2), (T-4)- Synonym
- Molybdic acid (H2MoO4), dicesium salt Synonym
- Molybdate (MoO42-), dicesium, (T-4)- Synonym
- Cesium molybdate(VI) Synonym
- Cesium molybdate (Cs2MoO4) Synonym
- Cesium molybdate Synonym
- Cesium molybdenum oxide (Cs2MoO4) Synonym
- Dicesium tetraoxomolybdate(2-) Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 425.75 g/mol | CAS Common Chemistry |
| 425.7460000000001 g/mol | RDKit | |
| 427.6959704799999 g/mol | RDKit | |
| 437.852 g/mol | chempirical lib | |
| Canonical SMILES | [Cs+].O=[Mo-2](=O)(=O)=O | CAS Common Chemistry |
| InChI | InChI=1S/2Cs.Mo.4O/q2*+1;-2;;;; | CAS Common Chemistry |
| InChI Key | InChIKey=KSBUNVKONMLLQX-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 940 °C | CAS Common Chemistry |
| Name | Molybdate (MoO42-), cesium (1:2), (T-4)- | CAS Common Chemistry |
| Heavy Atom Count | 7 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 114.0 Ų | RDKit |
| LogP | -6.469700000000001 | RDKit |
| -6.4697 | RDKit | |
| Molar Refractivity | 2.746 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 425.746 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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| 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 = 425.75 g/mol. Edit any field — others recompute live.
