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Lithium Pyruvate
CAS: 2922-61-4 | C3H4LiO3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
2922-61-4
Molecular Formula:
C3H4LiO3
Molecular Weight:
95.00299999999999 g/mol
Names and Synonyms:
Lithium Pyruvate
Synonym
Propanoic acid, 2-oxo-, lithium salt (1:1)
Synonym
Propanoic acid, 2-oxo-, lithium salt
Synonym
Lithium pyruvate
Synonym
Identifiers:
SMILES:
CC(=O)C(=O)O.[Li]
InChI:
InChI=1S/C3H4O3.Li/c1-2(4)3(5)6;/h1H3,(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
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 95.00299999999999 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 95.03204853800001 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 7 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 2 count | RDKit |
| Hydrogen Bond Donors | 1 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 1 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 54.370000000000005 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | -0.7208000000000001 | RDKit |
| molecular_mass | 95.00 g/mol | Legacy Database |
| cas-canonical-smile | [Li].O=C(O)C(=O)C None | Legacy Database |
| cas-inchi | InChI=1S/C3H4O3.Li/c1-2(4)3(5)6;/h1H3,(H,5,6); None | Legacy Database |
| cas-inchi-key | InChIKey=MVXFVWAONSSTPH-UHFFFAOYSA-N None | Legacy Database |
| cas-name | Lithium pyruvate None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 24.070799999999995 | RDKit |