Azulene | SBID = 658 | Compound |
Structure
Molecular Properties
| Interactions: | 1 | ||
| PubChem TPSA/Å2: | 0.0 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | 3.2 | ||
| 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: | 108.9 | ||
| Sum Formula: | C10H8 | ||
| M / g/mol: | 128.17 | ||
| Complexity: | 94.0 | ||
| Number of Conformers: | 1.0 |
Identifiers
- Tags:
- Name: Azulene
- Preferred Abbreviation: Azulene
- IUPAC Name: azulene
- CAS: 275-51-4
- CID: 9231
- InChiKey: CUFNKYGDVFVPHO-UHFFFAOYSA-N
- InChi: InChI=1S/C10H8/c1-2-5-9-7-4-8-10(9)6-3-1/h1-8H
- CanoSmiles: C1=CC=C2C=CC=C2C=C1
- IsoSmiles: C1=CC=C2C=CC=C2C=C1
