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Molecule
Platinum Dioxide Monohydrate
CAS: 12137-21-2 · H2O3Pt
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 12137-21-2
- Molecular Formula
- H2O3Pt
- Molecular Mass
- 245.09 g/mol
Identifiers
CAS Registry Number
12137-21-2
SMILES
O.[O].[O].[Pt]
InChI Key
SPGAMGILENUIOF-UHFFFAOYSA-N
InChI
InChI=1S/H2O.2O.Pt/h1H2;;;
Names and Synonyms
- Platinum Dioxide Monohydrate Synonym
- Platinum oxide (PtO2), monohydrate Synonym
- Platinum dioxide monohydrate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 245.09 g/mol | CAS Common Chemistry |
| 245.091 g/mol | RDKit | |
| 251.145 g/mol | chempirical lib | |
| Canonical SMILES | O=[Pt]=O.O | CAS Common Chemistry |
| InChI | InChI=1S/H2O.2O.Pt/h1H2;;; | CAS Common Chemistry |
| InChI Key | InChIKey=SPGAMGILENUIOF-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Platinum dioxide monohydrate | CAS Common Chemistry |
| Heavy Atom Count | 4 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 88.5 Ų | RDKit |
| LogP | -1.0648 | RDKit |
| Molar Refractivity | 4.986800000000001 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 244.965185024 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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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 = 245.09 g/mol. Edit any field — others recompute live.
