2-Phenyloxirane | SBID = 704 | Compound |
Structure
Molecular Properties
| Interactions: | 6 | ||
| PubChem TPSA/Å2: | 12.5 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | 1.6 | ||
| Hydrophilicity (Cheng XLogP3): | |||
| Charge: | 0.0 | ||
| Number of H-Bond Donors: | 0.0 | ||
| Number of H-Bond Acceptors: | 1.0 | ||
| Number of Stereogenic Bonds (E/Z): | 0.0 | ||
| Number of Stereogenic Atoms (R/S): | 1.0 | ||
| 3D Volume/Å3: | 102.4 | ||
| Sum Formula: | C8H8O | ||
| M / g/mol: | 120.15 | ||
| Complexity: | 94.0 | ||
| Number of Conformers: | 2.0 |
Identifiers
- Tags: aromatic, typical guest
- Name: 2-Phenyloxirane
- Preferred Abbreviation: Styrene oxide
- IUPAC Name: 2-phenyloxirane
- CAS: 96-09-3
- CID: 7276
- InChiKey: AWMVMTVKBNGEAK-UHFFFAOYSA-N
- InChi: InChI=1S/C8H8O/c1-2-4-7(5-3-1)8-6-9-8/h1-5,8H,6H2
- CanoSmiles: C1C(O1)C2=CC=CC=C2
- IsoSmiles: C1C(O1)C2=CC=CC=C2
