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Methylcyclopentadienyl Manganese Tricarbonyl
CAS: 12108-13-3 | C9H7MnO3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
12108-13-3
Molecular Formula:
C9H7MnO3
Molecular Mass:
218.09 g/mol
Names and Synonyms:
Methylcyclopentadienyl Manganese Tricarbonyl
Manganese, tricarbonyl[(1,2,3,4,5-η)-1-methyl-2,4-cyclopentadien-1-yl]-
Manganese, tricarbonyl(methyl-π-cyclopentadienyl)-
Manganese, tricarbonyl(methylcyclopentadienyl)-
Methylcyclopentadienylmanganese tricarbonyl
Tricarbonyl[(1,2,3,4,5-η)-1-methyl-2,4-cyclopentadien-1-yl]manganese
π-Methylcyclopentadienylmanganese tricarbonyl
Tricarbonyl(methylcyclopentadienyl)manganese
Tricarbonyl(2-methylcyclopentadienyl)manganese
(Methylcyclopentadienyl)tricarbonylmanganese
2-Methylcyclopentadienylmanganese tricarbonyl
Methylcymantrene
Tricarbonyl(methyl-π-cyclopentadienyl)manganese
MMT
Tricarbonyl(η5-methylcyclopentadienyl)manganese
Tricarbonyl(η5-methylcyclopentadienyl)manganese(I)
Ethyl MMT
Hitec 3000
NSC 22316
Hitec 3062
Identifiers:
SMILES:
Cc1ccc[cH-]1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Mn+]
InChI:
InChI=1S/C6H7.3CO.Mn/c1-6-4-2-3-5-6;3*1-2;/h2-5H,1H3;;;;/q-1;;;;+1
Key Properties
Boiling Point
233 °C
CAS Common Chemistry
Melting Point
2.2 °C
CAS Common Chemistry
Density
1.39 g/cm³
CAS Common Chemistry
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 | 218.09 g/mol | CAS Common Chemistry |
| 218.08999999999997 g/mol | RDKit | |
| 217.977564184 g/mol | RDKit | |
| Density | 1.39 g/cm³ | CAS Common Chemistry |
| 1.39 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Methylcyclopentadienyl_manganese_tricarbonyl | CAS Common Chemistry |
| Boiling Point | 233 °C | CAS Common Chemistry |
| Canonical SMILES | O#C[Mn+]1234(C#O)(C#O)[CH]=5[CH]4=[CH]3[C-]2(C)[CH]51 | CAS Common Chemistry |
| InChI | InChI=1S/C6H7.3CO.Mn/c1-6-4-2-3-5-6;3*1-2;/h2-5H,1H3;;;;/q-1;;;;+1 | CAS Common Chemistry |
| InChI Key | InChIKey=KPKMQYCSOVZNMI-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 2.2 °C | CAS Common Chemistry |
| Name | Methylcyclopentadienylmanganese tricarbonyl | CAS Common Chemistry |
| Methylcyclopentadienyl manganese tricarbonyl | CAS Common Chemistry | |
| Heavy Atom Count | 13 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 59.699999999999996 Ų | RDKit |
| LogP | 1.59889 | RDKit |
| Molar Refractivity | 38.560500000000005 | RDKit |
