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Molecule
Chromium(Iii) Acetate
CAS: 1066-30-4 · C2H4CrO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 1066-30-4
- Molecular Formula
- C2H4CrO2
- Molecular Mass
- 112.05 g/mol
Identifiers
CAS Registry Number
1066-30-4
SMILES
CC(=O)O.[Cr]
InChI Key
YETKGQMGLZKKGE-UHFFFAOYSA-N
InChI
InChI=1S/C2H4O2.Cr/c1-2(3)4;/h1H3,(H,3,4);
Names and Synonyms
- Chromium(Iii) Acetate Synonym
- Acetic acid, chromium(3+) salt (3:1) Synonym
- Acetic acid, chromium(3+) salt Synonym
- Chromic acetate Synonym
- Chromium(III) acetate Synonym
- Chromium triacetate Synonym
- Chromium acetate Synonym
- Chromium acetate (Cr(AcO)3) Synonym
- CAC 10 Synonym
- Chromium(3+) acetate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 112.05 g/mol | CAS Common Chemistry |
| 112.048 g/mol | RDKit | |
| 114.064 g/mol | chempirical lib | |
| Canonical SMILES | [Cr].O=C(O)C | CAS Common Chemistry |
| InChI | InChI=1S/C2H4O2.Cr/c1-2(3)4;/h1H3,(H,3,4); | CAS Common Chemistry |
| InChI Key | InChIKey=YETKGQMGLZKKGE-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Chromium(III) acetate | 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 | 111.961636868 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
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120
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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.
External Resources
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MW = 112.05 g/mol. Edit any field — others recompute live.
