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Molecule
Cobalt(Ii) Acetate
CAS: 71-48-7 · C2H4CoO2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 71-48-7
- Molecular Formula
- C2H4CoO2
- Molecular Mass
- 118.99 g/mol
Identifiers
CAS Registry Number
71-48-7
SMILES
CC(=O)O.[Co]
InChI Key
SVMCDCBHSKARBQ-UHFFFAOYSA-N
InChI
InChI=1S/C2H4O2.Co/c1-2(3)4;/h1H3,(H,3,4);
Names and Synonyms
- Cobalt(Ii) Acetate Synonym
- Acetic acid, cobalt(2+) salt (2:1) Synonym
- Acetic acid, cobalt(2+) salt Synonym
- Cobalt acetate Synonym
- Cobalt(II) acetate Synonym
- Cobaltous acetate Synonym
- Cobalt diacetate Synonym
- Cobalt(2+) acetate Synonym
- Cobalt acetate (Co(OAc)2) Synonym
- Cobaltous diacetate Synonym
- Bis(acetato)cobalt Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 118.99 g/mol | CAS Common Chemistry |
| 118.98500000000001 g/mol | RDKit | |
| 118.985 g/mol | RDKit | |
| 121.001 g/mol | chempirical lib | |
| Density | 1.13 g/cm³ | CAS Common Chemistry |
| 1.13 g/cm3 | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Cobalt(II)_acetate | CAS Common Chemistry |
| Canonical SMILES | [Co].O=C(O)C | CAS Common Chemistry |
| InChI | InChI=1S/C2H4O2.Co/c1-2(3)4;/h1H3,(H,3,4); | CAS Common Chemistry |
| InChI Key | InChIKey=SVMCDCBHSKARBQ-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Cobalt diacetate | CAS Common Chemistry |
| Heavy Atom Count | 5 | 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 | 0.08839999999999998 | RDKit |
| 0.0884 | RDKit | |
| Molar Refractivity | 13.309800000000001 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5 | RDKit |
| Exact Mass | 118.954324368 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
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40
20
0 ppm
| 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 = 118.99 g/mol; density = 1.130 g/mL. Edit any field — others recompute live.
