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Molecule
Lanthanum Sulfate
CAS: 10099-60-2 · H2LaO4S
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 10099-60-2
- Molecular Formula
- H2LaO4S
- Molecular Mass
- 236.99 g/mol
Identifiers
CAS Registry Number
10099-60-2
SMILES
O=S(=O)(O)O.[La]
InChI Key
ZHIMWHGEMSAQBS-UHFFFAOYSA-N
InChI
InChI=1S/La.H2O4S/c;1-5(2,3)4/h;(H2,1,2,3,4)
Names and Synonyms
- Lanthanum Sulfate Synonym
- Sulfuric acid, lanthanum(3+) salt (3:2) Synonym
- Lanthanum sulfate (La2(SO4)3) Synonym
- Lanthanum sulfate (2:3) Synonym
- Dilanthanum trisulfate Synonym
- Lanthanum(3+) sulfate Synonym
- Lanthanum sesquisulfate Synonym
- Lanthanum(III) sulfate Synonym
- Dilanthanum(3+) trisulfate Synonym
- Lanthanum sulfate Synonym
- SDXG 000254 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 236.99 g/mol | CAS Common Chemistry |
| 236.98499999999999 g/mol | RDKit | |
| 236.985 g/mol | RDKit | |
| 240.001 g/mol | chempirical lib | |
| Canonical SMILES | [La].O=S(=O)(O)O | CAS Common Chemistry |
| InChI | InChI=1S/La.H2O4S/c;1-5(2,3)4/h;(H2,1,2,3,4) | CAS Common Chemistry |
| InChI Key | InChIKey=ZHIMWHGEMSAQBS-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Lanthanum sulfate | CAS Common Chemistry |
| Heavy Atom Count | 6 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 74.60000000000001 Ų | RDKit |
| 74.6 Ų | RDKit | |
| LogP | -0.6527999999999998 | RDKit |
| -0.6528 | RDKit | |
| Molar Refractivity | 14.1774 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 236.87373284400002 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
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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
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MW = 236.99 g/mol. Edit any field — others recompute live.
