Benzene | SBID = 42 | Compound |
Structure
Molecular Properties
| Interactions: | 7 | ||
| PubChem TPSA/Å2: | 0.0 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | 2.1 | ||
| Hydrophilicity (Cheng XLogP3): | |||
| Charge: | 0.0 | ||
| Number of H-Bond Donors: | 0.0 | ||
| Number of H-Bond Acceptors: | 0.0 | ||
| Number of Stereogenic Bonds (E/Z): | 0.0 | ||
| Number of Stereogenic Atoms (R/S): | 0.0 | ||
| 3D Volume/Å3: | 67.5 | ||
| Sum Formula: | C6H6 | ||
| M / g/mol: | 78.11 | ||
| Complexity: | 15.0 | ||
| Number of Conformers: | 1.0 |
Identifiers
- Tags: aromatic, typical guest
- Name: Benzene
- Preferred Abbreviation: benzene
- IUPAC Name: benzene
- CAS:
- CID: 241
- InChiKey: UHOVQNZJYSORNB-UHFFFAOYSA-N
- InChi: InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H
- CanoSmiles: C1=CC=CC=C1
- IsoSmiles: C1=CC=CC=C1
