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Molecule
Lithium Hydroxide, Monohydrate
CAS: 1310-66-3 · H3LiO2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 1310-66-3
- Molecular Formula
- H3LiO2
- Molecular Mass
- 41.963 g/mol
Identifiers
CAS Registry Number
1310-66-3
SMILES
O.[Li+].[OH-]
InChI Key
GLXDVVHUTZTUQK-UHFFFAOYSA-M
InChI
InChI=1S/Li.2H2O/h;2*1H2/q+1;;/p-1
Names and Synonyms
- Lithium Hydroxide, Monohydrate Systematic Name
- Lithium hydroxide (Li(OH)), monohydrate Synonym
- Lithium hydroxide, monohydrate Synonym
- Lithium hydroxide hydrate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Density | 1.51 g/cm³ | CAS Common Chemistry |
| 1.51 g/cm3 | CAS Common Chemistry | |
| Canonical SMILES | [Li]O.O | CAS Common Chemistry |
| InChI | InChI=1S/Li.2H2O/h;2*1H2/q+1;;/p-1 | CAS Common Chemistry |
| InChI Key | InChIKey=GLXDVVHUTZTUQK-UHFFFAOYSA-M | CAS Common Chemistry |
| Melting Point | 450 °C | CAS Common Chemistry |
| Name | Lithium hydroxide, monohydrate | CAS Common Chemistry |
| Molecular Mass | 41.963 g/mol | RDKit |
| 42.029308886 g/mol | RDKit | |
| 43.979 g/mol | chempirical lib | |
| Heavy Atom Count | 3 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 61.5 Ų | RDKit |
| LogP | -3.9974999999999996 | RDKit |
| -3.9975 | RDKit | |
| Molar Refractivity | 5.5496 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 41.96 g/mol | CAS Common Chemistry |
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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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 = 41.96 g/mol; density = 1.510 g/mL. Edit any field — others recompute live.
