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Nickel(Ii) Acetate
CAS: 373-02-4 | C2H4NiO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
373-02-4
Molecular Formula:
C2H4NiO2
Molecular Weight:
118.745 g/mol
Names and Synonyms:
Nickel(Ii) Acetate
Top Seal H 298
Top Seal DX 300
Nickel acetate
Nickel(2+) acetate
Nickelous acetate
Nickel diacetate
Nickel(II) acetate
Nickel acetate (Ni(OAc)2)
Acetic acid, nickel(2+) salt
Acetic acid, nickel(2+) salt (2:1)
Identifiers:
SMILES:
CC(=O)O.[Ni]
InChI:
InChI=1S/C2H4O2.Ni/c1-2(3)4;/h1H3,(H,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 | 118.75 g/mol | Legacy Database |
| density | 1.80 g/cm³ | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Nickel(II)_acetate None | Legacy Database |
| cas-boiling-point | 16.6 °C None | Legacy Database |
| cas-canonical-smile | [Ni].O=C(O)C None | Legacy Database |
| cas-inchi | InChI=1S/C2H4O2.Ni/c1-2(3)4;/h1H3,(H,3,4); None | Legacy Database |
| cas-inchi-key | InChIKey=XMOKRCSXICGIDD-UHFFFAOYSA-N None | Legacy Database |
| cas-name | Nickel acetate None | Legacy Database |
| wikipedia-name | Nickel(II) acetate None | Legacy Database |
| LogP | 0.08839999999999998 | RDKit |
| cas-density | 1.798 g/cm3 None | Legacy Database |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 118.745 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 117.956472268 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 | 1 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 | 37.3 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 13.309800000000001 | RDKit |
