Phenanthrene | SBID = 660 | Compound |
Structure
Molecular Properties
| Interactions: | 1 | ||
| PubChem TPSA/Å2: | 0.0 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | 4.5 | ||
| 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: | 138.9 | ||
| Sum Formula: | C14H10 | ||
| M / g/mol: | 178.23 | ||
| Complexity: | 174.0 | ||
| Number of Conformers: | 1.0 |
Identifiers
- Tags:
- Name: Phenanthrene
- Preferred Abbreviation: Phenanthrene
- IUPAC Name: phenanthrene
- CAS: 85-01-8
- CID: 995
- InChiKey: YNPNZTXNASCQKK-UHFFFAOYSA-N
- InChi: InChI=1S/C14H10/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)13/h1-10H
- CanoSmiles: C1=CC=C2C(=C1)C=CC3=CC=CC=C32
- IsoSmiles: C1=CC=C2C(=C1)C=CC3=CC=CC=C32
