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Molecule
Lithium Iodide (Lii), Trihydrate
CAS: 7790-22-9 · H6ILiO3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 7790-22-9
- Molecular Formula
- H6ILiO3
- Molecular Mass
- 187.89000000000001 g/mol
Identifiers
CAS Registry Number
7790-22-9
SMILES
O.O.O.[I-].[Li+]
InChI Key
UMXWTWTZJKLUKQ-UHFFFAOYSA-M
InChI
InChI=1S/HI.Li.3H2O/h1H;;3*1H2/q;+1;;;/p-1
Names and Synonyms
- Lithium Iodide (Lii), Trihydrate Systematic Name
- Lithium iodide (LiI), trihydrate Synonym
- Lithium iodide, trihydrate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Canonical SMILES | [Li]I.O | CAS Common Chemistry |
| InChI | InChI=1S/HI.Li.3H2O/h1H;;3*1H2/q;+1;;;/p-1 | CAS Common Chemistry |
| InChI Key | InChIKey=UMXWTWTZJKLUKQ-UHFFFAOYSA-M | CAS Common Chemistry |
| Name | Lithium iodide (LiI), trihydrate | CAS Common Chemistry |
| Molecular Mass | 187.89000000000001 g/mol | RDKit |
| 187.95217160199996 g/mol | RDKit | |
| 187.89 g/mol | RDKit | |
| 189.906 g/mol | chempirical lib | |
| 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 | 94.5 Ų | RDKit |
| LogP | -8.466099999999997 | RDKit |
| -8.4661 | RDKit | |
| Molar Refractivity | 10.841399999999998 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 187.89 g/mol | CAS Common Chemistry |
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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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 = 187.89 g/mol. Edit any field — others recompute live.
