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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 Weight:
103.916 g/mol
Names and Synonyms:
Lithium Oxalate
Lithium oxalate (Li2C2O4)
Dilithium oxalate
Ethanedioic acid, dilithium salt
Lithium oxalate
Oxalic acid, dilithium salt
Ethanedioic acid, lithium salt (1:2)
Identifiers:
SMILES:
O=C(O)C(=O)O.[Li].[Li]
InChI:
InChI=1S/C2H2O4.2Li/c3-1(4)2(5)6;;/h(H,3,4)(H,5,6);;
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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 103.92 g/mol | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Lithium_oxalate None | Legacy Database |
| cas-canonical-smile | [Li].O=C(O)C(=O)O None | Legacy Database |
| cas-inchi | InChI=1S/C2H2O4.2Li/c3-1(4)2(5)6;;/h(H,3,4)(H,5,6);; None | Legacy Database |
| cas-inchi-key | InChIKey=VVESCKRTUOYWTR-UHFFFAOYSA-N None | Legacy Database |
| cas-name | Lithium oxalate None | Legacy Database |
| wikipedia-name | Lithium oxalate None | Legacy Database |
| LogP | -1.6059999999999999 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 103.916 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 104.02731764400001 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 8 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 2 count | RDKit |
| Hydrogen Bond Donors | 2 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 0 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 74.6 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 26.779599999999995 | RDKit |
