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Molecule
Palladium Oxide (Pdo), Hydrate
CAS: 64109-12-2 · H2O2Pd
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 64109-12-2
- Molecular Formula
- H2O2Pd
- Molecular Mass
- 140.43 g/mol
Identifiers
CAS Registry Number
64109-12-2
SMILES
O.[O].[Pd]
InChI Key
CJCUJYURPLYQOL-UHFFFAOYSA-N
InChI
InChI=1S/H2O.O.Pd/h1H2;;
Names and Synonyms
- Palladium Oxide (Pdo), Hydrate Systematic Name
- Palladium oxide (PdO), hydrate Synonym
- Palladium monoxide hydrate Synonym
- Palladium monooxide hydrate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 140.43 g/mol | CAS Common Chemistry |
| 140.434 g/mol | RDKit | |
| 144.466 g/mol | chempirical lib | |
| Canonical SMILES | O=[Pd].O | CAS Common Chemistry |
| InChI | InChI=1S/H2O.O.Pd/h1H2;; | CAS Common Chemistry |
| InChI Key | InChIKey=CJCUJYURPLYQOL-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Palladium oxide (PdO), hydrate | CAS Common Chemistry |
| Heavy Atom Count | 3 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 60.0 Ų | RDKit |
| LogP | -0.946 | RDKit |
| Molar Refractivity | 4.3003 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 139.908965304 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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8
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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 = 140.43 g/mol. Edit any field — others recompute live.
