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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 Mass:
103.92 g/mol
Names and Synonyms:
Lithium Oxalate
Ethanedioic acid, lithium salt (1:2)
Oxalic acid, dilithium salt
Lithium oxalate
Ethanedioic acid, dilithium salt
Dilithium oxalate
Lithium oxalate (Li2C2O4)
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
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 103.92 g/mol | CAS Common Chemistry |
| 103.916 g/mol | RDKit | |
| 104.02731764400001 g/mol | RDKit | |
| 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 |
| Molar Refractivity | 26.779599999999995 | RDKit |
