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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
Names and Synonyms:
Chromium(Iii) Acetate
Acetic acid, chromium(3+) salt (3:1)
Acetic acid, chromium(3+) salt
Chromic acetate
Chromium(III) acetate
Chromium triacetate
Chromium acetate
Chromium acetate (Cr(AcO)3)
CAC 10
Chromium(3+) acetate
Identifiers:
SMILES:
CC(=O)O.[Cr]
InChI:
InChI=1S/C2H4O2.Cr/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
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 112.05 g/mol | CAS Common Chemistry |
| 112.048 g/mol | RDKit | |
| 111.961636868 g/mol | RDKit | |
| 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 |
| Molar Refractivity | 13.309800000000001 | RDKit |
