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Molecule
Nickel(Ii) Carbonate
CAS: 3333-67-3 · CH2NiO3
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 3333-67-3
- Molecular Formula
- CH2NiO3
- Molecular Mass
- 120.72 g/mol
Identifiers
CAS Registry Number
3333-67-3
SMILES
O=C(O)O.[Ni]
InChI Key
SAEBCFDIJRQJQB-UHFFFAOYSA-N
InChI
InChI=1S/CH2O3.Ni/c2-1(3)4;/h(H2,2,3,4);
Names and Synonyms
- Nickel(Ii) Carbonate Common Name
- Carbonic acid, nickel(2+) salt (1:1) Synonym
- Nickel carbonate (NiCO3) Synonym
- Nickel carbonate Synonym
- Nickel(II) carbonate Synonym
- Nickelous carbonate Synonym
- Nickel(2+) carbonate Synonym
- Nickel carbonate (1:1) Synonym
- Nickel(2+) carbonate (NiCO3) Synonym
- Nickel monocarbonate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 120.72 g/mol | CAS Common Chemistry |
| 120.71700000000001 g/mol | RDKit | |
| 120.717 g/mol | RDKit | |
| 122.733 g/mol | chempirical lib | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Nickel(II)_carbonate | CAS Common Chemistry |
| Canonical SMILES | [Ni].O=C(O)O | CAS Common Chemistry |
| Density | 4 x 10-6 g/cm3 | CAS Common Chemistry |
| InChI | InChI=1S/CH2O3.Ni/c2-1(3)4;/h(H2,2,3,4); | CAS Common Chemistry |
| InChI Key | InChIKey=SAEBCFDIJRQJQB-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 270 °C (decomp) | CAS Common Chemistry |
| Name | Nickel carbonate (NiCO3) | CAS Common Chemistry |
| Heavy Atom Count | 5 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 57.53 Ų | RDKit |
| LogP | 0.21989999999999998 | RDKit |
| 0.2199 | RDKit | |
| Molar Refractivity | 10.6536 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 119.935736824 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 |
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200 ppm
180
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120
100
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20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 120.72 g/mol. Edit any field — others recompute live.
