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Molecule
Dicarbonyl(Acetylacetonato)Rhodium(I)
CAS: 14874-82-9 · C7H7O4Rh
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 14874-82-9
- Molecular Formula
- C7H7O4Rh
- Molecular Mass
- 258.03 g/mol
Identifiers
CAS Registry Number
14874-82-9
SMILES
CC(=O)[CH-]C(C)=O.[C-]#[O+].[C-]#[O+].[Rh+]
InChI Key
QKXHARLOMLGJCF-UHFFFAOYSA-N
InChI
InChI=1S/C5H7O2.2CO.Rh/c1-4(6)3-5(2)7;2*1-2;/h3H,1-2H3;;;/q-1;;;+1
Names and Synonyms
- Dicarbonyl(Acetylacetonato)Rhodium(I) Common Name
- Rhodium, dicarbonyl(2,4-pentanedionato-κO2,κO4)-, (SP-4-2)- Synonym
- Rhodium, dicarbonyl(2,4-pentanedionato)- Synonym
- Rhodium, dicarbonyl(2,4-pentanedionato-O,O′)-, (SP-4-2)- Synonym
- Rhodium, (2,4-pentanedionato)dicarbonyl- Synonym
- Rhodium, dicarbonyl(2,4-pentanedionato-κO,κO′)-, (SP-4-2)- Synonym
- (SP-4-2)-Dicarbonyl(2,4-pentanedionato-κO2,κO4)rhodium Synonym
- Acetylacetonatorhodium dicarbonyl Synonym
- Dicarbonyl(2,4-pentanedionato)rhodium Synonym
- Dicarbonylacetylacetonatorhodium Synonym
- Dicarbonylacetylacetonatorhodium(I) Synonym
- Acetylacetonatodicarbonylrhodium(I) Synonym
- Rhodium dicarbonylacetylacetonate Synonym
- Dicarbonylrhodium acetylacetonate Synonym
- Acetylacetonatobis(carbonyl)rhodium Synonym
- Dicarbonylrhodium(I) acetylacetonate Synonym
- Rhodium acetylacetonate dicarbonyl Synonym
- Rhodium biscarbonyl acetylacetonate Synonym
- Rh(CO)2(acac) Synonym
- Dicarbonyl(2,4-pentanedionato-κO,κO′)rhodium Synonym
- (Acetylacetonato)dicarbonyl rhodium Synonym
- (Acetylacetonate)dicarbonylrhodium Synonym
- Rh(acac)(CO)2 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 258.03 g/mol | CAS Common Chemistry |
| 258.03499999999997 g/mol | RDKit | |
| 258.035 g/mol | RDKit | |
| 262.067 g/mol | chempirical lib | |
| 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 |
| 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 |
| 0.2912 | RDKit | |
| Molar Refractivity | 33.52099999999999 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.2857 | RDKit |
| Exact Mass | 257.93993770400004 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 |
|---|
200 ppm
180
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20
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.
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MW = 258.03 g/mol. Edit any field — others recompute live.
