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Dicarbonyl(Acetylacetonato)Rhodium(I)
CAS: 14874-82-9 | C7H7O4Rh
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
14874-82-9
Molecular Formula:
C7H7O4Rh
Molecular Mass:
258.03 g/mol
Names and Synonyms:
Dicarbonyl(Acetylacetonato)Rhodium(I)
Rhodium, dicarbonyl(2,4-pentanedionato-κO2,κO4)-, (SP-4-2)-
Rhodium, dicarbonyl(2,4-pentanedionato)-
Rhodium, dicarbonyl(2,4-pentanedionato-O,O′)-, (SP-4-2)-
Rhodium, (2,4-pentanedionato)dicarbonyl-
Rhodium, dicarbonyl(2,4-pentanedionato-κO,κO′)-, (SP-4-2)-
(SP-4-2)-Dicarbonyl(2,4-pentanedionato-κO2,κO4)rhodium
Acetylacetonatorhodium dicarbonyl
Dicarbonyl(2,4-pentanedionato)rhodium
Dicarbonylacetylacetonatorhodium
Dicarbonylacetylacetonatorhodium(I)
Acetylacetonatodicarbonylrhodium(I)
Rhodium dicarbonylacetylacetonate
Dicarbonylrhodium acetylacetonate
Acetylacetonatobis(carbonyl)rhodium
Dicarbonylrhodium(I) acetylacetonate
Rhodium acetylacetonate dicarbonyl
Rhodium biscarbonyl acetylacetonate
Rh(CO)2(acac)
Dicarbonyl(2,4-pentanedionato-κO,κO′)rhodium
(Acetylacetonato)dicarbonyl rhodium
(Acetylacetonate)dicarbonylrhodium
Rh(acac)(CO)2
Identifiers:
SMILES:
CC(=O)[CH-]C(C)=O.[C-]#[O+].[C-]#[O+].[Rh+]
InChI:
InChI=1S/C5H7O2.2CO.Rh/c1-4(6)3-5(2)7;2*1-2;/h3H,1-2H3;;;/q-1;;;+1
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 | 258.03 g/mol | CAS Common Chemistry |
| 258.03499999999997 g/mol | RDKit | |
| 257.93993770400004 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Dicarbonyl(acetylacetonato)rhodium(I) | CAS Common Chemistry |
| Canonical SMILES | O#C[Rh+]1(C#O)O=C([CH-]C(=O1)C)C | CAS Common Chemistry |
| InChI | InChI=1S/C5H7O2.2CO.Rh/c1-4(6)3-5(2)7;2*1-2;/h3H,1-2H3;;;/q-1;;;+1 | CAS Common Chemistry |
| InChI Key | InChIKey=QKXHARLOMLGJCF-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Dicarbonylrhodium acetylacetonate | CAS Common Chemistry |
| Dicarbonyl(acetylacetonato)rhodium(I) | CAS Common Chemistry | |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 73.94 Ų | RDKit |
| LogP | 0.29117000000000004 | RDKit |
| Molar Refractivity | 33.52099999999999 | RDKit |
