Anthracene | SBID = 659 | Compound |
Structure
Molecular Properties
| Interactions: | 2 | ||
| PubChem TPSA/Å2: | 0.0 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | 4.4 | ||
| 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: | 137.3 | ||
| Sum Formula: | C14H10 | ||
| M / g/mol: | 178.23 | ||
| Complexity: | 154.0 | ||
| Number of Conformers: | 1.0 |
Identifiers
- Tags: aromatic
- Name: Anthracene
- Preferred Abbreviation: Anthracene
- IUPAC Name: anthracene
- CAS: 120-12-7
- CID: 8418
- InChiKey: MWPLVEDNUUSJAV-UHFFFAOYSA-N
- InChi: InChI=1S/C14H10/c1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1/h1-10H
- CanoSmiles: C1=CC=C2C=C3C=CC=CC3=CC2=C1
- IsoSmiles: C1=CC=C2C=C3C=CC=CC3=CC2=C1
