cyclohepta-2,4,6-trien-1-ylium | SBID = 2451 | Compound | Custom Molecule
Structure
Molecular Properties
| Interactions: | 2 | ||
| PubChem TPSA/Å2: | |||
| Ertl TPSA/Å2: | 0.0 | ||
| Hydrophilicity (PubChem XLogP): | |||
| Hydrophilicity (Cheng XLogP3): | -5.82 | ||
| Charge: | 1.0 | ||
| 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: | C7H7+ | ||
| M / g/mol: | 91.13048 | ||
| Complexity: | |||
| Number of Conformers: |
Identifiers
- Tags: typical guest
- Name: cyclohepta-2,4,6-trien-1-ylium
- Preferred Abbreviation: cyclohepta-2,4,6-trien-1-ylium
- IUPAC Name:
- CAS:
- CID: -1048
- InChiKey: OJOSABWCUVCSTQ-UHFFFAOYSA-N
- InChi: InChI=1S/C7H7/c1-2-4-6-7-5-3-1/h1-7H/q+1
- CanoSmiles: c1cccc[cH+]c1
- IsoSmiles: C1=CC=CC=C[CH+]1
