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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
QJ 0005
Li2CO3
Lithuril
Lithium carbonate
Carbolithium
Limas
Lithicarb
NSC 16895
Ceglution
Liskonum
Quilonorm-retard
Teralithe
Lithobid
Phasal
Lithocarb
Micalith
CP 15467-61
Quilonum retard
Priadel
Plenur
Lithotabs
Lithonate
Lithane
Hypnorex
Carbolith
Camcolit
Carbonic acid lithium salt (Li2CO3)
Eskalith
Dilithium carbonate
Candamide
Lithium carbonate (Li2CO3)
Carbonic acid, dilithium salt
Carbonic acid, lithium salt (1:2)
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
6
5
4
3
2
1
0 ppm
Shift (ppm) | Multiplicity | Integration | Assignment |
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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
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 |
Physical Properties
Property | Value | Source |
---|---|---|
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 |
LogP | -0.5391999999999999 | RDKit |
cas-canonical-smile | [Li].O=C(O)O None | Legacy Database |
cas-density | 2.11 g/cm3 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 |