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Nickel(Ii) Carbonate
CAS: 3333-67-3 | CH2NiO3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
3333-67-3
Molecular Formula:
CH2NiO3
Molecular Weight:
120.71700000000001 g/mol
Names and Synonyms:
Nickel(Ii) Carbonate
Nickel monocarbonate
Nickel(2+) carbonate (NiCO3)
Nickel carbonate (1:1)
Nickel(2+) carbonate
Nickelous carbonate
Nickel(II) carbonate
Nickel carbonate
Nickel carbonate (NiCO3)
Carbonic acid, nickel(2+) salt (1:1)
Identifiers:
SMILES:
O=C(O)O.[Ni]
InChI:
InChI=1S/CH2O3.Ni/c2-1(3)4;/h(H2,2,3,4);
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 | 120.72 g/mol | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Nickel(II)_carbonate None | Legacy Database |
| cas-canonical-smile | [Ni].O=C(O)O None | Legacy Database |
| cas-density | 4 x 10-6 g/cm3 None | Legacy Database |
| cas-inchi | InChI=1S/CH2O3.Ni/c2-1(3)4;/h(H2,2,3,4); None | Legacy Database |
| cas-inchi-key | InChIKey=SAEBCFDIJRQJQB-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 270 °C (decomp) None | Legacy Database |
| cas-name | Nickel carbonate (NiCO3) None | Legacy Database |
| wikipedia-name | Nickel(II) carbonate None | Legacy Database |
| LogP | 0.21989999999999998 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 120.71700000000001 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 119.935736824 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 5 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 1 count | RDKit |
| Hydrogen Bond Donors | 2 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 | 57.53 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 10.6536 | RDKit |
