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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 Weight:
112.048 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
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 112.048 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 111.961636868 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 5 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 1 count | RDKit |
| Hydrogen Bond Donors | 1 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 0 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 37.3 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 0.08839999999999998 | RDKit |
| molecular_mass | 112.05 g/mol | Legacy Database |
| cas-canonical-smile | [Cr].O=C(O)C None | Legacy Database |
| cas-inchi | InChI=1S/C2H4O2.Cr/c1-2(3)4;/h1H3,(H,3,4); None | Legacy Database |
| cas-inchi-key | InChIKey=YETKGQMGLZKKGE-UHFFFAOYSA-N None | Legacy Database |
| cas-name | Chromium(III) acetate None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 13.309800000000001 | RDKit |
