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Lithium Carbonate
CAS: 554-13-2 | CH2Li2O3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
554-13-2
Molecular Formula:
CH2Li2O3
Molecular Weight:
75.906 g/mol
Names and Synonyms:
Lithium Carbonate
Common Name
QJ 0005
Synonym
Li2CO3
Synonym
Lithuril
Synonym
Lithium carbonate
Synonym
Carbolithium
Synonym
Limas
Synonym
Lithicarb
Synonym
NSC 16895
Synonym
Ceglution
Synonym
Liskonum
Synonym
Quilonorm-retard
Synonym
Teralithe
Synonym
Lithobid
Synonym
Phasal
Synonym
Lithocarb
Synonym
Micalith
Synonym
CP 15467-61
Synonym
Quilonum retard
Synonym
Priadel
Synonym
Plenur
Synonym
Lithotabs
Synonym
Lithonate
Synonym
Lithane
Synonym
Hypnorex
Synonym
Carbolith
Synonym
Camcolit
Synonym
Carbonic acid lithium salt (Li2CO3)
Synonym
Eskalith
Synonym
Dilithium carbonate
Synonym
Candamide
Synonym
Lithium carbonate (Li2CO3)
Synonym
Carbonic acid, dilithium salt
Synonym
Carbonic acid, lithium salt (1:2)
Synonym
Identifiers:
SMILES:
O=C(O)O.[Li].[Li]
InChI:
InChI=1S/CH2O3.2Li/c2-1(3)4;;/h(H2,2,3,4);;
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
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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 |
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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 |
|---|---|---|
| cas-canonical-smile | [Li].O=C(O)O None | Legacy Database |
| cas-density | 2.11 g/cm3 None | Legacy Database |
| LogP | -0.5391999999999999 | RDKit |
| molecular_mass | 75.91 g/mol | Legacy Database |
| density | 2.11 g/cm³ | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Lithium_carbonate None | Legacy Database |
| cas-inchi | InChI=1S/CH2O3.2Li/c2-1(3)4;;/h(H2,2,3,4);; None | Legacy Database |
| cas-inchi-key | InChIKey=XMNPAWRFUJJEOS-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 723 °C None | Legacy Database |
| cas-name | Lithium carbonate (Li2CO3) None | Legacy Database |
| wikipedia-name | Lithium carbonate None | Legacy Database |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 1 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 | 57.53 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 22.1616 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 75.906 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 76.032403024 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 6 count | RDKit |