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Molecule
Nickel Carbonate Hydroxide (Ni3(Co3)(Oh)4)
CAS: 12607-70-4 · CHNiO4-3
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 12607-70-4
- Molecular Formula
- CHNiO4-3
- Molecular Mass
- 135.71 g/mol
Identifiers
CAS Registry Number
12607-70-4
SMILES
O=C([O-])[O-].[Ni].[OH-]
InChI Key
JYWFZRGLNFLXLL-UHFFFAOYSA-K
InChI
InChI=1S/CH2O3.Ni.H2O/c2-1(3)4;;/h(H2,2,3,4);;1H2/p-3
Names and Synonyms
- Nickel Carbonate Hydroxide (Ni3(Co3)(Oh)4) Common Name
- Nickel carbonate hydroxide (Ni3(CO3)(OH)4) Synonym
- Nickel, [carbonato(2-)]tetrahydroxytri- Synonym
- Nickel carbonate hydroxide (2Ni(OH)2.Ni(CO3)) Synonym
- Nickel carbonate (Ni3(CO3)(OH)4) Synonym
- Basic nickel carbonate Synonym
- Carbonic acid, nickel salt, basic Synonym
- Nickel carbonate hydroxide Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 135.71 g/mol | CAS Common Chemistry |
| 135.708 g/mol | RDKit | |
| 137.724 g/mol | chempirical lib | |
| Canonical SMILES | [Ni].[OH-].O=C([O-])[O-] | CAS Common Chemistry |
| InChI | InChI=1S/CH2O3.Ni.H2O/c2-1(3)4;;/h(H2,2,3,4);;1H2/p-3 | CAS Common Chemistry |
| InChI Key | InChIKey=JYWFZRGLNFLXLL-UHFFFAOYSA-K | CAS Common Chemistry |
| Name | Nickel carbonate hydroxide (Ni3(CO3)(OH)4) | CAS Common Chemistry |
| Heavy Atom Count | 6 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 93.19 Ų | RDKit |
| LogP | -2.6263 | RDKit |
| Molar Refractivity | 7.3318 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | -3 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 134.92447215173001 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
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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.
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MW = 135.71 g/mol. Edit any field — others recompute live.
