Chrysene | SBID = 663 | Compound |
Structure
Molecular Properties
| Interactions: | 1 | ||
| PubChem TPSA/Å2: | 0.0 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | 5.7 | ||
| 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: | 174.4 | ||
| Sum Formula: | C18H12 | ||
| M / g/mol: | 228.3 | ||
| Complexity: | 264.0 | ||
| Number of Conformers: | 1.0 |
Identifiers
- Tags:
- Name: Chrysene
- Preferred Abbreviation: Chrysene
- IUPAC Name: chrysene
- CAS: 218-01-9
- CID: 9171
- InChiKey: WDECIBYCCFPHNR-UHFFFAOYSA-N
- InChi: InChI=1S/C18H12/c1-3-7-15-13(5-1)9-11-18-16-8-4-2-6-14(16)10-12-17(15)18/h1-12H
- CanoSmiles: C1=CC=C2C(=C1)C=CC3=C2C=CC4=CC=CC=C43
- IsoSmiles: C1=CC=C2C(=C1)C=CC3=C2C=CC4=CC=CC=C43
