cobaltocene | SBID = 2435 | Compound | Custom Molecule
Structure
Molecular Properties
| Interactions: | 1 | ||
| PubChem TPSA/Å2: | |||
| Ertl TPSA/Å2: | 0.0 | ||
| Hydrophilicity (PubChem XLogP): | |||
| Hydrophilicity (Cheng XLogP3): | 5.01 | ||
| Charge: | 3.0 | ||
| Number of H-Bond Donors: | 0.0 | ||
| Number of H-Bond Acceptors: | 0.0 | ||
| Number of Stereogenic Bonds (E/Z): | |||
| Number of Stereogenic Atoms (R/S): | |||
| 3D Volume/Å3: | |||
| Sum Formula: | C12H16Co+++ | ||
| M / g/mol: | 219.18864 | ||
| Complexity: | |||
| Number of Conformers: |
Identifiers
- Tags: typical guest
- Name: cobaltocene
- Preferred Abbreviation: cobaltocene
- IUPAC Name:
- CAS:
- CID: -1036
- InChiKey: GYIBNBSYZXEQIY-UHFFFAOYSA-N
- InChi: InChI=1S/2C5H5.2CH3.Co/c2*1-2-4-5-3-1;;;/h2*1-5H;2*1H3;/q;;;;+3
- CanoSmiles: [CH]1C=CC=C1.[CH]1C=CC=C1.C[Co+3]C
- IsoSmiles: C[Co+3]C.c1cccc1.c2cccc2
