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Molecule
Lithium Acetate
CAS: 546-89-4 · C2H4LiO2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 546-89-4
- Molecular Formula
- C2H4LiO2
- Molecular Mass
- 66.99300000000001 g/mol
Identifiers
CAS Registry Number
546-89-4
SMILES
CC(=O)O.[Li]
InChI Key
QQGWBRJQPRTJDA-UHFFFAOYSA-N
InChI
InChI=1S/C2H4O2.Li/c1-2(3)4;/h1H3,(H,3,4);
Names and Synonyms
- Lithium Acetate Common Name
- Acetic acid, lithium salt (1:1) Synonym
- Acetic acid, lithium salt Synonym
- Lithium acetate Synonym
- Quilone Synonym
- Lithium ethanoate Synonym
- Quilonorm Synonym
- Quilonum Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| 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 |
| Molecular Mass | 66.99300000000001 g/mol | RDKit |
| 67.03713391800001 g/mol | RDKit | |
| 66.993 g/mol | RDKit | |
| 68.001 g/mol | chempirical lib | |
| 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 |
| -0.2899 | RDKit | |
| Molar Refractivity | 19.063799999999997 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5 | RDKit |
| Exact Mass | 66.99 g/mol | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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| 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.
External Resources
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MW = 66.99 g/mol. Edit any field — others recompute live.
