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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
Cobalt oxide hydroxide
Cobalt hydroxide oxide
Cobalt oxide hydroxide (CoOOH)
Cobalt oxyhydroxide
Cobalt hydroxide (CoO(OH))
Cobalt hydroxide oxide (CoO(OH))
Cobalt hydroxide oxide (Co(OH)O)
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 |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 58.5 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 2.6223 | 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 |
