p-Benzoquinone | SBID = 48 | Compound |
Structure
Molecular Properties
| Interactions: | 2 | ||
| PubChem TPSA/Å2: | 34.1 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | 0.2 | ||
| Hydrophilicity (Cheng XLogP3): | |||
| Charge: | 0.0 | ||
| Number of H-Bond Donors: | 0.0 | ||
| Number of H-Bond Acceptors: | 2.0 | ||
| Number of Stereogenic Bonds (E/Z): | 0.0 | ||
| Number of Stereogenic Atoms (R/S): | 0.0 | ||
| 3D Volume/Å3: | 86.4 | ||
| Sum Formula: | C6H4O2 | ||
| M / g/mol: | 108.096 | ||
| Complexity: | 149.0 | ||
| Number of Conformers: | 1.0 |
Identifiers
- Tags: typical guest
- Name: p-Benzoquinone
- Preferred Abbreviation: p-Benzoquinone
- IUPAC Name: cyclohexa-2,5-diene-1,4-dione
- CAS: 106-51-4
- CID: 4650
- InChiKey: AZQWKYJCGOJGHM-UHFFFAOYSA-N
- InChi: InChI=1S/C6H4O2/c7-5-1-2-6(8)4-3-5/h1-4H
- CanoSmiles: C1=CC(=O)C=CC1=O
- IsoSmiles: C1=CC(=O)C=CC1=O
