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Chromium(Iii) 2-Ethylhexanoate
CAS: 3444-17-5 | C8H16CrO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
3444-17-5
Molecular Formula:
C8H16CrO2
Molecular Mass:
196.21 g/mol
Names and Synonyms:
Chromium(Iii) 2-Ethylhexanoate
Hexanoic acid, 2-ethyl-, chromium(3+) salt (3:1)
Hexanoic acid, 2-ethyl-, chromium(3+) salt
2-Ethylhexanoic acid chromium(III) salt
Chromium(III) tris(2-ethylhexanoate)
Chromium tris(2-ethylhexanoate)
Chromium 2-ethylhexanoate
Chromic 2-ethylhexanoate
Chromium(III) 2-ethylhexanoate
Chromium 2-ethylhexanoate (1:3)
Chromium Hex-Cem
Identifiers:
SMILES:
CCCCC(CC)C(=O)O.[Cr]
InChI:
InChI=1S/C8H16O2.Cr/c1-3-5-6-7(4-2)8(9)10;/h7H,3-6H2,1-2H3,(H,9,10);
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 | 196.21 g/mol | CAS Common Chemistry |
| 196.055537252 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Chromium(III)_2-ethylhexanoate | CAS Common Chemistry |
| Canonical SMILES | [Cr].O=C(O)C(CC)CCCC | CAS Common Chemistry |
| InChI | InChI=1S/C8H16O2.Cr/c1-3-5-6-7(4-2)8(9)10;/h7H,3-6H2,1-2H3,(H,9,10); | CAS Common Chemistry |
| InChI Key | InChIKey=NPCUWXDZFXSRLT-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Chromium(III) 2-ethylhexanoate | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 5 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 37.3 Ų | RDKit |
| LogP | 2.2849 | RDKit |
| Molar Refractivity | 40.9418 | RDKit |
