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Lithium Acetate Dihydrate
CAS: 6108-17-4 | C2H8LiO4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
6108-17-4
Molecular Formula:
C2H8LiO4
Molecular Mass:
103.02 g/mol
Names and Synonyms:
Lithium Acetate Dihydrate
Acetic acid, lithium salt, dihydrate
Lithium acetate dihydrate
Identifiers:
SMILES:
CC(=O)O.O.O.[Li]
InChI:
InChI=1S/C2H4O2.Li.2H2O/c1-2(3)4;;;/h1H3,(H,3,4);;2*1H2
Key Properties
Melting Point
28.3 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
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.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 103.02 g/mol | CAS Common Chemistry |
| 103.02300000000001 g/mol | RDKit | |
| 103.05826328600001 g/mol | RDKit | |
| Canonical SMILES | [Li].O=C(O)C.O | CAS Common Chemistry |
| InChI | InChI=1S/C2H4O2.Li.2H2O/c1-2(3)4;;;/h1H3,(H,3,4);;2*1H2 | CAS Common Chemistry |
| InChI Key | InChIKey=NGMCLZSBKVXVQH-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 28.3 °C | CAS Common Chemistry |
| Name | Lithium acetate dihydrate | CAS Common Chemistry |
| Heavy Atom Count | 7 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 100.3 Ų | RDKit |
| LogP | -1.9393000000000002 | RDKit |
| Molar Refractivity | 26.291399999999996 | RDKit |
