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Molecule
Ammonium Molybdate ((Nh4)6Mo7O24) Tetrahydrate
CAS: 12054-85-2 · H32Mo7N6O28
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 12054-85-2
- Molecular Formula
- H32Mo7N6O28
- Molecular Mass
- 1235.8500000000006 g/mol
Identifiers
CAS Registry Number
12054-85-2
SMILES
O.O.O.O.[Mo+2].[Mo+2].[Mo+2].[Mo+2].[Mo+2].[Mo+2].[Mo].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-].[O-].[O-].[O-].[O-].[O-].[O].[O].[O].[O].[O].[O].[O].[O].[O].[O].[O].[O]
InChI Key
CKMWHECNJUSODA-UHFFFAOYSA-T
InChI
InChI=1S/7Mo.6H3N.4H2O.24O/h;;;;;;;6*1H3;4*1H2;;;;;;;;;;;;;;;;;;;;;;;;/q;6*+2;;;;;;;;;;;;;;;;;;;;;;;6*-2;6*-1/p+6
Names and Synonyms
- Ammonium Molybdate ((Nh4)6Mo7O24) Tetrahydrate Synonym
- Molybdate (Mo7O246-), ammonium, hydrate (1:6:4) Synonym
- Molybdic acid (H6Mo7O24), hexaammonium salt, tetrahydrate Synonym
- Ammonium molybdate tetrahydrate [(NH4)6Mo7O24.4H2O] Synonym
- Ammonium heptamolybdate ((NH4)6Mo7O24) tetrahydrate Synonym
- Ammonium molybdate ((NH4)6Mo7O24) tetrahydrate Synonym
- Ammonium molybdate [(NH4)6Mo7O27.4H2O] Synonym
- Ammonium molybdate hydrate ((NH4)6Mo7O24.4H2O) Synonym
- Ammonium paramolybdate tetrahydrate Synonym
- Hexaammonium heptamolybdate tetrahydrate Synonym
- Ammonium molybdate tetrahydrate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Canonical SMILES | O=[Mo+2]123(=O)[O-][Mo]4567[O-][Mo+2]89(=O)(=O)[O-2][Mo+2]%10%11(=O)(=O)[O-2][Mo+2](=O)(=O)([O-2]1)([O-]4%10)[O-]52[Mo+2]%12(=O)(=O)([O-2]3)[O-2][Mo+2](=O)(=O)([O-2]8)([O-]6%12)[O-]79%11.O.[NH4+] | CAS Common Chemistry |
| InChI | InChI=1S/7Mo.6H3N.4H2O.24O/h;;;;;;;6*1H3;4*1H2;;;;;;;;;;;;;;;;;;;;;;;;/q;6*+2;;;;;;;;;;;;;;;;;;;;;;;6*-2;6*-1/p+6 | CAS Common Chemistry |
| InChI Key | InChIKey=CKMWHECNJUSODA-UHFFFAOYSA-T | CAS Common Chemistry |
| Melting Point | 400 °C (decomp) (approx) | CAS Common Chemistry |
| Name | Ammonium molybdate ((NH4)6Mo7O24) tetrahydrate | CAS Common Chemistry |
| Molecular Mass | 1235.8500000000006 g/mol | RDKit |
| 1249.4643117839992 g/mol | RDKit | |
| 1235.85 g/mol | RDKit | |
| 1292.368 g/mol | chempirical lib | |
| Heavy Atom Count | 41 | RDKit |
| Hydrogen Bond Acceptors | 6 | RDKit |
| Hydrogen Bond Donors | 6 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 1029.0 Ų | RDKit |
| LogP | -3.910300000000003 | RDKit |
| -3.9103 | RDKit | |
| Molar Refractivity | 66.83999999999996 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 1235.85 g/mol | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
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| 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 = 1235.85 g/mol. Edit any field — others recompute live.
