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Molecule
Lanthanum Carbonate Hydrate
CAS: 54451-24-0 · CH4LaO4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 54451-24-0
- Molecular Formula
- CH4LaO4
- Molecular Mass
- 218.95 g/mol
Identifiers
CAS Registry Number
54451-24-0
SMILES
O.O=C(O)O.[La]
InChI Key
LIOPFGUJULMLEN-UHFFFAOYSA-N
InChI
InChI=1S/CH2O3.La.H2O/c2-1(3)4;;/h(H2,2,3,4);;1H2
Names and Synonyms
- Lanthanum Carbonate Hydrate Common Name
- Carbonic acid, lanthanum(3+) salt (3:2), hydrate Synonym
- Lanthanum carbonate (La2(CO3)3) hydrate Synonym
- Lanthanum carbonate (2:3) hydrate Synonym
- Lanthanum carbonate hydrate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 218.95 g/mol | CAS Common Chemistry |
| 218.945 g/mol | RDKit | |
| 221.968 g/mol | chempirical lib | |
| Canonical SMILES | [La].O=C(O)O.O | CAS Common Chemistry |
| InChI | InChI=1S/CH2O3.La.H2O/c2-1(3)4;;/h(H2,2,3,4);;1H2 | CAS Common Chemistry |
| InChI Key | InChIKey=LIOPFGUJULMLEN-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Lanthanum carbonate hydrate | CAS Common Chemistry |
| Heavy Atom Count | 6 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 89.03 Ų | RDKit |
| LogP | -0.6023000000000001 | RDKit |
| -0.6023 | RDKit | |
| Molar Refractivity | 14.267399999999999 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 218.917311908 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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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.
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MW = 218.95 g/mol. Edit any field — others recompute live.
