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Lithium Metaphosphate
CAS: 13762-75-9 | HLiO3P
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
13762-75-9
Molecular Formula:
HLiO3P
Molecular Weight:
86.92 g/mol
Names and Synonyms:
Lithium Metaphosphate
Synonym
Metaphosphoric acid (HPO3), lithium salt
Synonym
Lithium metaphosphate (LiPO3)
Synonym
Lithium phosphate (LiPO3)
Synonym
Lithium polymetaphosphate
Synonym
Lithium metaphosphate
Synonym
Identifiers:
SMILES:
O=P(=O)O.[Li]
InChI:
InChI=1S/Li.HO3P/c;1-4(2)3/h;(H,1,2,3)
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
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120
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20
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.
All Properties
Comprehensive physical and chemical properties
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 86.92 g/mol | Legacy Database |
| density | 2.73 g/cm³ | Legacy Database |
| cas-canonical-smile | [Li].O=P(=O)O None | Legacy Database |
| cas-density | 2.73 g/cm3 None | Legacy Database |
| cas-inchi | InChI=1S/Li.HO3P/c;1-4(2)3/h;(H,1,2,3) None | Legacy Database |
| cas-inchi-key | InChIKey=AKZOYHUYFBJCSM-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 656 °C None | Legacy Database |
| cas-name | Lithium metaphosphate None | Legacy Database |
| LogP | -0.3142000000000001 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 86.92 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 86.98233507200001 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 5 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 2 count | RDKit |
| Hydrogen Bond Donors | 1 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 0 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 54.370000000000005 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 16.2658 | RDKit |