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Lithium Acetate
CAS: 546-89-4 | C2H4LiO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
546-89-4
Molecular Formula:
C2H4LiO2
Molecular Mass:
66.99 g/mol
Names and Synonyms:
Lithium Acetate
Acetic acid, lithium salt (1:1)
Acetic acid, lithium salt
Lithium acetate
Quilone
Lithium ethanoate
Quilonorm
Quilonum
Identifiers:
SMILES:
CC(=O)O.[Li]
InChI:
InChI=1S/C2H4O2.Li/c1-2(3)4;/h1H3,(H,3,4);
Key Properties
Melting Point
286 °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 | 66.99 g/mol | CAS Common Chemistry |
| 66.99300000000001 g/mol | RDKit | |
| 67.03713391800001 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Lithium_acetate | CAS Common Chemistry |
| Canonical SMILES | [Li].O=C(O)C | CAS Common Chemistry |
| InChI | InChI=1S/C2H4O2.Li/c1-2(3)4;/h1H3,(H,3,4); | CAS Common Chemistry |
| InChI Key | InChIKey=QQGWBRJQPRTJDA-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 286 °C | CAS Common Chemistry |
| Name | Lithium acetate | CAS Common Chemistry |
| Heavy Atom Count | 5 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 37.3 Ų | RDKit |
| LogP | -0.2899000000000001 | RDKit |
| Molar Refractivity | 19.063799999999997 | RDKit |
