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Molecule
Yttrium Trichloride Hexahydrate
CAS: 10025-94-2 · H12Cl3O6Y
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 10025-94-2
- Molecular Formula
- H12Cl3O6Y
- Molecular Mass
- 303.35 g/mol
Identifiers
CAS Registry Number
10025-94-2
SMILES
O.O.O.O.O.O.[Cl-].[Cl-].[Cl-].[Y+3]
InChI Key
IINACGXCEZNYTF-UHFFFAOYSA-K
InChI
InChI=1S/3ClH.6H2O.Y/h3*1H;6*1H2;/q;;;;;;;;;+3/p-3
Names and Synonyms
- Yttrium Trichloride Hexahydrate Common Name
- Yttrium chloride (YCl3), hexahydrate Synonym
- Yttrium chloride hexahydrate (YCl3.6H2O) Synonym
- Yttrium trichloride hexahydrate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 303.35 g/mol | CAS Common Chemistry |
| 303.355 g/mol | RDKit | |
| 309.394 g/mol | chempirical lib | |
| Canonical SMILES | Cl[Y](Cl)Cl.O | CAS Common Chemistry |
| InChI | InChI=1S/3ClH.6H2O.Y/h3*1H;6*1H2;/q;;;;;;;;;+3/p-3 | CAS Common Chemistry |
| InChI Key | InChIKey=IINACGXCEZNYTF-UHFFFAOYSA-K | CAS Common Chemistry |
| Name | Yttrium trichloride hexahydrate | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 189.0 Ų | RDKit |
| LogP | -13.938699999999995 | RDKit |
| -13.9387 | RDKit | |
| Molar Refractivity | 21.682799999999997 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 301.875794444 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
160
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100
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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.
External Resources
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MW = 303.35 g/mol. Edit any field — others recompute live.
