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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
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.

External Resources

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

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