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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 Weight:
154.495 g/mol
Names and Synonyms:
Magnesocene
Magnesocene
Magnesium, di-π-cyclopentadienyl-
Magnesium, dicyclopentadienyl-
Bis(π-cyclopentadienyl)magnesium
Dicyclopentadienylmagnesium
Di-π-cyclopentadienylmagnesium
Magnesium dicyclopentadienide
Bis(cyclopentadienyl)magnesium
Bis(η5-cyclopentadienyl)magnesium
Identifiers:
SMILES:
[Mg+2].c1cc[cH-]c1.c1cc[cH-]c1
InChI:
InChI=1S/2C5H5.Mg/c2*1-2-4-5-3-1;/h2*1-5H;/q2*-1;+2
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
| Category | Property | Value | Source |
|---|---|---|---|
| Molecular | Molecular Weight | 154.495 g/mol | RDKit |
| Exact | Exact Molecular Weight | 154.06329202 g/mol | RDKit |
| Heavy | Heavy Atom Count | 11 count | RDKit |
| Hydrogen | Hydrogen Bond Acceptors | 0 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit | |
| Rotatable | Rotatable Bonds | 0 count | RDKit |
| Aromatic | Aromatic Ring Count | 2 count | RDKit |
| Topological | Topological Polar Surface Area | 0.0 Ų | RDKit |
| Physical Properties | LogP | 2.4302 | RDKit |
| molecular_mass | 154.49 g/mol | Legacy Database | |
| wikipedia_url | https://en.wikipedia.org/wiki/Magnesocene | Legacy Database | |
| cas-canonical-smile | [CH]=12[CH]3=[CH]4[CH-]5[CH]1[Mg+2]23678945[CH]=%10[CH]9=[CH]8[CH-]7[CH]%106 | Legacy Database | |
| cas-inchi | InChI=1S/2C5H5.Mg/c2*1-2-4-5-3-1;/h2*1-5H;/q2*-1;+2 | Legacy Database | |
| cas-inchi-key | InChIKey=WGESBNRUPISICS-UHFFFAOYSA-N | Legacy Database | |
| cas-melting-point | 176-178 °C | Legacy Database | |
| cas-name | Bis(cyclopentadienyl)magnesium | Legacy Database | |
| wikipedia-name | Magnesocene | Legacy Database | |
| Molar | Molar Refractivity | 49.82400000000003 | RDKit |
