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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 Weight:
91.939 g/mol
Names and Synonyms:
Cobalt Oxyhydroxide
Common Name
Cobalt oxide hydroxide
Synonym
Cobalt hydroxide oxide
Synonym
Cobalt oxide hydroxide (CoOOH)
Synonym
Cobalt oxyhydroxide
Synonym
Cobalt hydroxide (CoO(OH))
Synonym
Cobalt hydroxide oxide (CoO(OH))
Synonym
Cobalt hydroxide oxide (Co(OH)O)
Synonym
Identifiers:
SMILES:
[Co+].[OH-].[O]
InChI:
InChI=1S/Co.H2O.O/h;1H2;/q+1;;/p-1
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
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.
All Properties
Comprehensive physical and chemical properties
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 91.94 g/mol | Legacy Database |
| cas-canonical-smile | O=[Co]O None | Legacy Database |
| cas-inchi | InChI=1S/Co.H2O.O/h;1H2;/q+1;;/p-1 None | Legacy Database |
| cas-inchi-key | InChIKey=DLHSXQSAISCVNN-UHFFFAOYSA-M None | Legacy Database |
| cas-name | Cobalt oxyhydroxide None | Legacy Database |
| LogP | -0.29810000000000003 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 91.939 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 91.930849272 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 3 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 1 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 0 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 58.5 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 2.6223 | RDKit |