Back to Search
Molecule
Lithium Dihydrogen Phosphate
CAS: 13453-80-0 · H3LiO4P
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 13453-80-0
- Molecular Formula
- H3LiO4P
- Molecular Mass
- 104.94 g/mol
Identifiers
CAS Registry Number
13453-80-0
SMILES
O=P(O)(O)O.[Li]
InChI Key
OQPHEVHDBFEJRQ-UHFFFAOYSA-N
InChI
InChI=1S/Li.H3O4P/c;1-5(2,3)4/h;(H3,1,2,3,4)
Names and Synonyms
- Lithium Dihydrogen Phosphate Synonym
- Phosphoric acid, lithium salt (1:1) Synonym
- Phosphoric acid, monolithium salt Synonym
- Lithium phosphate (LiH2PO4) Synonym
- Lithium dihydrogen orthophosphate Synonym
- Lithium dihydrogen phosphate Synonym
- Dihydrogen lithium phosphate (H2LiPO4) Synonym
- Monolithium phosphate Synonym
- Lithium dihydrophosphate Synonym
- Lithium phosphate (Li(PO4)) Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 104.94 g/mol | CAS Common Chemistry |
| 104.99289975600001 g/mol | RDKit | |
| 104.935 g/mol | RDKit | |
| 105.943 g/mol | chempirical lib | |
| Canonical SMILES | [Li].O=P(O)(O)O | CAS Common Chemistry |
| InChI | InChI=1S/Li.H3O4P/c;1-5(2,3)4/h;(H3,1,2,3,4) | CAS Common Chemistry |
| InChI Key | InChIKey=OQPHEVHDBFEJRQ-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Lithium dihydrogen phosphate | CAS Common Chemistry |
| Heavy Atom Count | 6 | 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 | -1.3094000000000001 | RDKit |
| -1.3094 | RDKit | |
| Molar Refractivity | 20.0169 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 104.93499999999999 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
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
Convert
Quick conversion
MW = 104.94 g/mol. Edit any field — others recompute live.
