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Molecule
Molybdenum Phosphorus Hydroxide Oxide
CAS: 11104-88-4 · HMoO2P-
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 11104-88-4
- Molecular Formula
- HMoO2P-
- Molecular Mass
- 159.92 g/mol
Identifiers
CAS Registry Number
11104-88-4
SMILES
[Mo].[OH-].[O].[P]
InChI Key
XHCQMYQQMKYEHF-UHFFFAOYSA-M
InChI
InChI=1S/Mo.H2O.O.P/h;1H2;;/p-1
Names and Synonyms
- Molybdenum Phosphorus Hydroxide Oxide Common Name
- Molybdenum phosphorus hydroxide oxide Synonym
- Molybdophosphoric acid Synonym
- Phosphomolybdic acid Synonym
- Phosphoric acid, anhydride with molybdic acid Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Canonical SMILES | [O].[P].[Mo].[OH-] | CAS Common Chemistry |
| InChI | InChI=1S/Mo.H2O.O.P/h;1H2;;/p-1 | CAS Common Chemistry |
| InChI Key | InChIKey=XHCQMYQQMKYEHF-UHFFFAOYSA-M | CAS Common Chemistry |
| Name | Molybdenum phosphorus hydroxide oxide | CAS Common Chemistry |
| Molecular Mass | 159.92 g/mol | RDKit |
| 161.87737268190997 g/mol | RDKit | |
| 166.986 g/mol | chempirical lib | |
| Heavy Atom Count | 4 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 58.5 Ų | RDKit |
| LogP | 0.5630999999999999 | RDKit |
| 0.5631 | RDKit | |
| Molar Refractivity | 9.5423 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | -1 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 159.92 g/mol | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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0 ppm
| Shift (ppm) | DEPT | Assignment |
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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 = 159.92 g/mol. Edit any field — others recompute live.
