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Nickel Acetate Tetrahydrate
CAS: 6018-89-9 | C2H8NiO4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
6018-89-9
Molecular Formula:
C2H8NiO4
Molecular Mass:
154.77 g/mol
Names and Synonyms:
Nickel Acetate Tetrahydrate
Acetic acid, nickel(2+) salt, hydrate (2:1:4)
Acetic acid, nickel(2+) salt, tetrahydrate
Nickel diacetate tetrahydrate
Nickel acetate tetrahydrate
Nickel(2+) acetate tetrahydrate
Nickel acetate [Ni(OAc)2.4H2O], tetrahydrate
Nickel(II) acetate tetrahydrate
Diacetatonickel tetrahydrate
Nickel(2+) diacetate tetrahydrate
Identifiers:
SMILES:
CC(=O)O.O.O.[Ni]
InChI:
InChI=1S/C2H4O2.Ni.2H2O/c1-2(3)4;;;/h1H3,(H,3,4);;2*1H2
Key Properties
Density
1.74 g/cm³
CAS Common Chemistry
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
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 154.77 g/mol | CAS Common Chemistry |
| 154.775 g/mol | RDKit | |
| 153.977601636 g/mol | RDKit | |
| Density | 1.74 g/cm³ | CAS Common Chemistry |
| 1.744 g/cm3 | CAS Common Chemistry | |
| Canonical SMILES | [Ni].O=C(O)C.O | CAS Common Chemistry |
| InChI | InChI=1S/C2H4O2.Ni.2H2O/c1-2(3)4;;;/h1H3,(H,3,4);;2*1H2 | CAS Common Chemistry |
| InChI Key | InChIKey=KBHKLQLYZWTGKD-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Nickel acetate tetrahydrate | CAS Common Chemistry |
| Heavy Atom Count | 7 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 100.3 Ų | RDKit |
| LogP | -1.5610000000000002 | RDKit |
| Molar Refractivity | 20.5374 | RDKit |
