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Molecule
Cerium Disulfate Tetrahydrate
CAS: 10294-42-5 · H6CeO6S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 10294-42-5
- Molecular Formula
- H6CeO6S
- Molecular Mass
- 274.23 g/mol
Identifiers
CAS Registry Number
10294-42-5
SMILES
O.O.O=S(=O)(O)O.[Ce]
InChI Key
FWKMFSNVVJBUDG-UHFFFAOYSA-N
InChI
InChI=1S/Ce.H2O4S.2H2O/c;1-5(2,3)4;;/h;(H2,1,2,3,4);2*1H2
Names and Synonyms
- Cerium Disulfate Tetrahydrate Synonym
- Sulfuric acid, cerium(4+) salt (2:1), tetrahydrate Synonym
- Ceric sulfate tetrahydrate Synonym
- Cerium(4+) sulfate tetrahydrate Synonym
- Cerium disulfate tetrahydrate Synonym
- Cerium sulfate (Ce(SO4)2) tetrahydrate Synonym
- Cerium sulfate tetrahydrate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 274.23 g/mol | CAS Common Chemistry |
| 274.225 g/mol | RDKit | |
| 277.242 g/mol | chempirical lib | |
| Canonical SMILES | [Ce].O=S(=O)(O)O.O | CAS Common Chemistry |
| InChI | InChI=1S/Ce.H2O4S.2H2O/c;1-5(2,3)4;;/h;(H2,1,2,3,4);2*1H2 | CAS Common Chemistry |
| InChI Key | InChIKey=FWKMFSNVVJBUDG-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Cerium disulfate tetrahydrate | CAS Common Chemistry |
| Heavy Atom Count | 8 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 137.6 Ų | RDKit |
| 125.06 Ų | chempirical lib | |
| LogP | -2.3022 | RDKit |
| Molar Refractivity | 21.404999999999998 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 273.893947612 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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 |
|---|
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 = 274.23 g/mol. Edit any field — others recompute live.
