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Nickel Carbonate Hydroxide (Ni3(Co3)(Oh)4)
CAS: 12607-70-4 | CHNiO4-3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
12607-70-4
Molecular Formula:
CHNiO4-3
Molecular Weight:
135.708 g/mol
Names and Synonyms:
Nickel Carbonate Hydroxide (Ni3(Co3)(Oh)4)
Nickel carbonate hydroxide
Carbonic acid, nickel salt, basic
Basic nickel carbonate
Nickel carbonate (Ni3(CO3)(OH)4)
Nickel carbonate hydroxide (2Ni(OH)2.Ni(CO3))
Nickel, [carbonato(2-)]tetrahydroxytri-
Nickel carbonate hydroxide (Ni3(CO3)(OH)4)
Identifiers:
SMILES:
O=C([O-])[O-].[Ni].[OH-]
InChI:
InChI=1S/CH2O3.Ni.H2O/c2-1(3)4;;/h(H2,2,3,4);;1H2/p-3
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 | 135.71 g/mol | Legacy Database |
| cas-canonical-smile | [Ni].[OH-].O=C([O-])[O-] None | Legacy Database |
| cas-inchi | InChI=1S/CH2O3.Ni.H2O/c2-1(3)4;;/h(H2,2,3,4);;1H2/p-3 None | Legacy Database |
| cas-inchi-key | InChIKey=JYWFZRGLNFLXLL-UHFFFAOYSA-K None | Legacy Database |
| cas-name | Nickel carbonate hydroxide (Ni3(CO3)(OH)4) None | Legacy Database |
| LogP | -2.6263 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 135.708 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 134.92447215173001 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 6 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 4 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 | 93.19 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 7.3318 | RDKit |
