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Molecule
Trilithium Phosphate
CAS: 10377-52-3 · H3Li3O4P
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 10377-52-3
- Molecular Formula
- H3Li3O4P
- Molecular Mass
- 118.82 g/mol
Identifiers
CAS Registry Number
10377-52-3
SMILES
O=P(O)(O)O.[Li].[Li].[Li]
InChI Key
NPIOVNVQZPBTID-UHFFFAOYSA-N
InChI
InChI=1S/3Li.H3O4P/c;;;1-5(2,3)4/h;;;(H3,1,2,3,4)
Names and Synonyms
- Trilithium Phosphate Common Name
- Phosphoric acid, lithium salt (1:3) Synonym
- Phosphoric acid, trilithium salt Synonym
- Lithium phosphate (Li3PO4) Synonym
- Lithium tribasic phosphate Synonym
- Trilithium phosphate Synonym
- Lithiophosphate (Li3PO4) Synonym
- Trilithium orthophosphate Synonym
- Lithium phosphate Synonym
- Trilithium monophosphate Synonym
- Lithium orthophosphate (Li3PO4) Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 118.82 g/mol | CAS Common Chemistry |
| 119.02490885600002 g/mol | RDKit | |
| 118.817 g/mol | RDKit | |
| 121.841 g/mol | chempirical lib | |
| Canonical SMILES | [Li].O=P(O)(O)O | CAS Common Chemistry |
| InChI | InChI=1S/3Li.H3O4P/c;;;1-5(2,3)4/h;;;(H3,1,2,3,4) | CAS Common Chemistry |
| InChI Key | InChIKey=NPIOVNVQZPBTID-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 1206 °C | CAS Common Chemistry |
| Name | Trilithium phosphate | CAS Common Chemistry |
| Heavy Atom Count | 8 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 77.76 Ų | RDKit |
| LogP | -2.071 | RDKit |
| Molar Refractivity | 31.5249 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 118.817 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
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 = 118.82 g/mol. Edit any field — others recompute live.
