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Molecule
Magnesocene
CAS: 1284-72-6 · C10H10Mg
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 1284-72-6
- Molecular Formula
- C10H10Mg
- Molecular Mass
- 154.49 g/mol
Identifiers
CAS Registry Number
1284-72-6
SMILES
[Mg+2].c1cc[cH-]c1.c1cc[cH-]c1
InChI Key
WGESBNRUPISICS-UHFFFAOYSA-N
InChI
InChI=1S/2C5H5.Mg/c2*1-2-4-5-3-1;/h2*1-5H;/q2*-1;+2
Names and Synonyms
- Magnesocene Synonym
- Magnesocene Synonym
- Magnesium, di-π-cyclopentadienyl- Synonym
- Magnesium, dicyclopentadienyl- Synonym
- Bis(π-cyclopentadienyl)magnesium Synonym
- Dicyclopentadienylmagnesium Synonym
- Di-π-cyclopentadienylmagnesium Synonym
- Magnesium dicyclopentadienide Synonym
- Bis(cyclopentadienyl)magnesium Synonym
- Bis(η5-cyclopentadienyl)magnesium Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 154.49 g/mol | CAS Common Chemistry |
| 154.495 g/mol | RDKit | |
| 160.543 g/mol | chempirical lib | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Magnesocene | CAS Common Chemistry |
| Canonical SMILES | [CH]=12[CH]3=[CH]4[CH-]5[CH]1[Mg+2]23678945[CH]=%10[CH]9=[CH]8[CH-]7[CH]%106 | CAS Common Chemistry |
| InChI | InChI=1S/2C5H5.Mg/c2*1-2-4-5-3-1;/h2*1-5H;/q2*-1;+2 | CAS Common Chemistry |
| InChI Key | InChIKey=WGESBNRUPISICS-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 176-178 °C | CAS Common Chemistry |
| Name | Bis(cyclopentadienyl)magnesium | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 2.4302 | RDKit |
| Molar Refractivity | 49.82400000000003 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 154.06329202 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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8
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5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
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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.
External Resources
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MW = 154.49 g/mol. Edit any field — others recompute live.
