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Molecule
Lithium Oxalate
CAS: 553-91-3 · C2H2Li2O4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 553-91-3
- Molecular Formula
- C2H2Li2O4
- Molecular Mass
- 103.92 g/mol
Identifiers
CAS Registry Number
553-91-3
SMILES
O=C(O)C(=O)O.[Li].[Li]
InChI Key
VVESCKRTUOYWTR-UHFFFAOYSA-N
InChI
InChI=1S/C2H2O4.2Li/c3-1(4)2(5)6;;/h(H,3,4)(H,5,6);;
Names and Synonyms
- Lithium Oxalate Common Name
- Ethanedioic acid, lithium salt (1:2) Synonym
- Oxalic acid, dilithium salt Synonym
- Lithium oxalate Synonym
- Ethanedioic acid, dilithium salt Synonym
- Dilithium oxalate Synonym
- Lithium oxalate (Li2C2O4) Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 103.92 g/mol | CAS Common Chemistry |
| 104.02731764400001 g/mol | RDKit | |
| 103.916 g/mol | RDKit | |
| 105.932 g/mol | chempirical lib | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Lithium_oxalate | CAS Common Chemistry |
| Canonical SMILES | [Li].O=C(O)C(=O)O | CAS Common Chemistry |
| InChI | InChI=1S/C2H2O4.2Li/c3-1(4)2(5)6;;/h(H,3,4)(H,5,6);; | CAS Common Chemistry |
| InChI Key | InChIKey=VVESCKRTUOYWTR-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Lithium oxalate | CAS Common Chemistry |
| Heavy Atom Count | 8 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 74.6 Ų | RDKit |
| LogP | -1.6059999999999999 | RDKit |
| -1.606 | RDKit | |
| Molar Refractivity | 26.779599999999995 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 103.916 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
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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 = 103.92 g/mol. Edit any field — others recompute live.
