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Molecule
Lithium Perchlorate Trihydrate
CAS: 13453-78-6 · H7ClLiO7
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 13453-78-6
- Molecular Formula
- H7ClLiO7
- Molecular Mass
- 161.44 g/mol
Identifiers
CAS Registry Number
13453-78-6
SMILES
O.O.O.[Li].[O-][Cl+3]([O-])([O-])O
InChI Key
LPSQVTOWXCSXGV-UHFFFAOYSA-N
InChI
InChI=1S/ClHO4.Li.3H2O/c2-1(3,4)5;;;;/h(H,2,3,4,5);;3*1H2
Names and Synonyms
- Lithium Perchlorate Trihydrate Synonym
- Perchloric acid, lithium salt, trihydrate Synonym
- Lithium perchlorate trihydrate Synonym
- Lithium perchlorate (LiClO4) trihydrate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 161.44 g/mol | CAS Common Chemistry |
| 161.443 g/mol | RDKit | |
| 162.448 g/mol | chempirical lib | |
| Canonical SMILES | [Li].O=Cl(=O)(=O)O.O | CAS Common Chemistry |
| InChI | InChI=1S/ClHO4.Li.3H2O/c2-1(3,4)5;;;;/h(H,2,3,4,5);;3*1H2 | CAS Common Chemistry |
| InChI Key | InChIKey=LPSQVTOWXCSXGV-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Lithium perchlorate trihydrate | CAS Common Chemistry |
| Heavy Atom Count | 9 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 183.91 Ų | RDKit |
| LogP | -6.978899999999997 | RDKit |
| -6.9789 | RDKit | |
| Molar Refractivity | 18.8142 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 161.004034794 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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3
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
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120
100
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20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
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 = 161.44 g/mol. Edit any field — others recompute live.
