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Molecule
Nickel Formate
CAS: 3349-06-2 · CH2NiO2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 3349-06-2
- Molecular Formula
- CH2NiO2
- Molecular Mass
- 104.72 g/mol
Identifiers
CAS Registry Number
3349-06-2
SMILES
O=CO.[Ni]
InChI Key
RILTWTZTURZUEO-UHFFFAOYSA-N
InChI
InChI=1S/CH2O2.Ni/c2-1-3;/h1H,(H,2,3);
Names and Synonyms
- Nickel Formate Synonym
- Formic acid, nickel(2+) salt (2:1) Synonym
- Formic acid, nickel(2+) salt Synonym
- Nickel formate Synonym
- Nickel diformate Synonym
- Nickelous formate Synonym
- Nickel(2+) formate Synonym
- Nickel(II) formate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 104.72 g/mol | CAS Common Chemistry |
| 104.71799999999999 g/mol | RDKit | |
| 104.718 g/mol | RDKit | |
| 106.734 g/mol | chempirical lib | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Nickel_formate | CAS Common Chemistry |
| Canonical SMILES | [Ni].O=CO | CAS Common Chemistry |
| InChI | InChI=1S/CH2O2.Ni/c2-1-3;/h1H,(H,2,3); | CAS Common Chemistry |
| InChI Key | InChIKey=RILTWTZTURZUEO-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Formic acid, nickel(2+) salt (2:1) | CAS Common Chemistry |
| Nickel formate | CAS Common Chemistry | |
| Heavy Atom Count | 4 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 37.3 Ų | RDKit |
| LogP | -0.3016999999999999 | RDKit |
| -0.3017 | RDKit | |
| Molar Refractivity | 8.6928 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 103.940822204 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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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.
External Resources
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MW = 104.72 g/mol. Edit any field — others recompute live.
