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Nickel Formate
CAS: 3349-06-2 | CH2NiO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
3349-06-2
Molecular Formula:
CH2NiO2
Molecular Weight:
104.71799999999999 g/mol
Names and Synonyms:
Nickel Formate
Formic acid, nickel(2+) salt (2:1)
Formic acid, nickel(2+) salt
Nickel formate
Nickel diformate
Nickelous formate
Nickel(2+) formate
Nickel(II) formate
Identifiers:
SMILES:
O=CO.[Ni]
InChI:
InChI=1S/CH2O2.Ni/c2-1-3;/h1H,(H,2,3);
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
| Category | Property | Value | Source |
|---|---|---|---|
| Physical Properties | molecular_mass | 104.72 g/mol | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Nickel_formate | Legacy Database | |
| cas-canonical-smile | [Ni].O=CO | Legacy Database | |
| cas-inchi | InChI=1S/CH2O2.Ni/c2-1-3;/h1H,(H,2,3); | Legacy Database | |
| cas-inchi-key | InChIKey=RILTWTZTURZUEO-UHFFFAOYSA-N | Legacy Database | |
| cas-name | Formic acid, nickel(2+) salt (2:1) | Legacy Database | |
| wikipedia-name | Nickel formate | Legacy Database | |
| LogP | -0.3016999999999999 | RDKit | |
| Molecular | Molecular Weight | 104.71799999999999 g/mol | RDKit |
| Exact | Exact Molecular Weight | 103.940822204 g/mol | RDKit |
| Heavy | Heavy Atom Count | 4 count | RDKit |
| Hydrogen | Hydrogen Bond Acceptors | 1 count | RDKit |
| Hydrogen Bond Donors | 1 count | RDKit | |
| Rotatable | Rotatable Bonds | 0 count | RDKit |
| Aromatic | Aromatic Ring Count | 0 count | RDKit |
| Topological | Topological Polar Surface Area | 37.3 Ų | RDKit |
| Molar | Molar Refractivity | 8.6928 | RDKit |
