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Molecule
Nickel Acetate Tetrahydrate
CAS: 6018-89-9 · C2H8NiO4
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 6018-89-9
- Molecular Formula
- C2H8NiO4
- Molecular Mass
- 154.77 g/mol
Identifiers
CAS Registry Number
6018-89-9
SMILES
CC(=O)O.O.O.[Ni]
InChI Key
KBHKLQLYZWTGKD-UHFFFAOYSA-N
InChI
InChI=1S/C2H4O2.Ni.2H2O/c1-2(3)4;;;/h1H3,(H,3,4);;2*1H2
Names and Synonyms
- Nickel Acetate Tetrahydrate Synonym
- Acetic acid, nickel(2+) salt, hydrate (2:1:4) Synonym
- Acetic acid, nickel(2+) salt, tetrahydrate Synonym
- Nickel diacetate tetrahydrate Synonym
- Nickel acetate tetrahydrate Synonym
- Nickel(2+) acetate tetrahydrate Synonym
- Nickel acetate [Ni(OAc)2.4H2O], tetrahydrate Synonym
- Nickel(II) acetate tetrahydrate Synonym
- Diacetatonickel tetrahydrate Synonym
- Nickel(2+) diacetate tetrahydrate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 154.77 g/mol | CAS Common Chemistry |
| 154.775 g/mol | RDKit | |
| 156.791 g/mol | chempirical lib | |
| 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 |
| -1.561 | RDKit | |
| Molar Refractivity | 20.5374 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5 | RDKit |
| Exact Mass | 153.977601636 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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200 ppm
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| 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 = 154.77 g/mol; density = 1.740 g/mL. Edit any field — others recompute live.
