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Molecule
Cobalt Oxyhydroxide
CAS: 12016-80-7 · HCoO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 12016-80-7
- Molecular Formula
- HCoO2
- Molecular Mass
- 91.94 g/mol
Identifiers
CAS Registry Number
12016-80-7
SMILES
[Co+].[OH-].[O]
InChI Key
DLHSXQSAISCVNN-UHFFFAOYSA-M
InChI
InChI=1S/Co.H2O.O/h;1H2;/q+1;;/p-1
Names and Synonyms
- Cobalt Oxyhydroxide Common Name
- Cobalt hydroxide oxide (Co(OH)O) Synonym
- Cobalt hydroxide oxide (CoO(OH)) Synonym
- Cobalt hydroxide (CoO(OH)) Synonym
- Cobalt oxyhydroxide Synonym
- Cobalt oxide hydroxide (CoOOH) Synonym
- Cobalt hydroxide oxide Synonym
- Cobalt oxide hydroxide Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 91.94 g/mol | CAS Common Chemistry |
| 91.939 g/mol | RDKit | |
| 96.979 g/mol | chempirical lib | |
| Canonical SMILES | O=[Co]O | CAS Common Chemistry |
| InChI | InChI=1S/Co.H2O.O/h;1H2;/q+1;;/p-1 | CAS Common Chemistry |
| InChI Key | InChIKey=DLHSXQSAISCVNN-UHFFFAOYSA-M | CAS Common Chemistry |
| Name | Cobalt oxyhydroxide | CAS Common Chemistry |
| Heavy Atom Count | 3 | 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 | -0.29810000000000003 | RDKit |
| -0.2981 | RDKit | |
| Molar Refractivity | 2.6223 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 91.930849272 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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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.
External Resources
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MW = 91.94 g/mol. Edit any field — others recompute live.
