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Molecule
Lithium Molybdate
CAS: 13568-40-6 · Li2MoO4
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 13568-40-6
- Molecular Formula
- Li2MoO4
- Molecular Mass
- 173.82 g/mol
Identifiers
CAS Registry Number
13568-40-6
SMILES
[Li+].[Li+].[Mo-2].[O].[O].[O].[O]
InChI Key
RQNTUWHWQYUJRH-UHFFFAOYSA-N
InChI
InChI=1S/2Li.Mo.4O/q2*+1;-2;;;;
Names and Synonyms
- Lithium Molybdate Common Name
- Molybdate (MoO42-), lithium (1:2), (T-4)- Synonym
- Molybdic acid (H2MoO4), dilithium salt Synonym
- Molybdate (MoO42-), dilithium, (T-4)- Synonym
- Lithium molybdate(VI) (Li2MoO4) Synonym
- Dilithium molybdate (Li2MoO4) Synonym
- Lithium molybdate Synonym
- Lithium molybdate (Li2MoO4) Synonym
- Dilithium tetraoxomolybdate(2-) Synonym
- Lithium molybdenum oxide (Li2MoO4) Synonym
- Dilithium molybdenum tetraoxide Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 173.82 g/mol | CAS Common Chemistry |
| 175.91707578 g/mol | RDKit | |
| 173.818 g/mol | RDKit | |
| 185.924 g/mol | chempirical lib | |
| Density | 3.06 g/cm³ | CAS Common Chemistry |
| 3.06 g/cm3 | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Lithium_molybdate | CAS Common Chemistry |
| Canonical SMILES | [Li+].O=[Mo-2](=O)(=O)=O | CAS Common Chemistry |
| InChI | InChI=1S/2Li.Mo.4O/q2*+1;-2;;;; | CAS Common Chemistry |
| InChI Key | InChIKey=RQNTUWHWQYUJRH-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 700 °C | CAS Common Chemistry |
| Name | Lithium molybdate (Li2MoO4) | 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 | 173.81799999999998 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 |
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200 ppm
180
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40
20
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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 = 173.82 g/mol; density = 3.060 g/mL. Edit any field — others recompute live.
