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Molecule
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
Identifiers
CAS Registry Number
3444-17-5
SMILES
CCCCC(CC)C(=O)O.[Cr]
InChI Key
NPCUWXDZFXSRLT-UHFFFAOYSA-N
InChI
InChI=1S/C8H16O2.Cr/c1-3-5-6-7(4-2)8(9)10;/h7H,3-6H2,1-2H3,(H,9,10);
Names and Synonyms
- Chromium(Iii) 2-Ethylhexanoate Synonym
- Hexanoic acid, 2-ethyl-, chromium(3+) salt (3:1) Synonym
- Hexanoic acid, 2-ethyl-, chromium(3+) salt Synonym
- 2-Ethylhexanoic acid chromium(III) salt Synonym
- Chromium(III) tris(2-ethylhexanoate) Synonym
- Chromium tris(2-ethylhexanoate) Synonym
- Chromium 2-ethylhexanoate Synonym
- Chromic 2-ethylhexanoate Synonym
- Chromium(III) 2-ethylhexanoate Synonym
- Chromium 2-ethylhexanoate (1:3) Synonym
- Chromium Hex-Cem Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 196.21 g/mol | CAS Common Chemistry |
| 198.226 g/mol | chempirical lib | |
| 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 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.875 | RDKit |
| 0.88 | chempirical lib | |
| Exact Mass | 196.055537252 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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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 = 196.21 g/mol. Edit any field — others recompute live.
