2-Methyl-3-phenyloxirane | SBID = 705 | Compound |
Structure
Molecular Properties
| Interactions: | 6 | ||
| PubChem TPSA/Å2: | 12.5 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | 1.8 | ||
| 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): | 2.0 | ||
| 3D Volume/Å3: | 115.0 | ||
| Sum Formula: | C9H10O | ||
| M / g/mol: | 134.17 | ||
| Complexity: | 116.0 | ||
| Number of Conformers: | 4.0 |
Identifiers
- Tags: aromatic, typical guest
- Name: 2-Methyl-3-phenyloxirane
- Preferred Abbreviation: 2-Methyl-3-phenyloxirane
- IUPAC Name: 2-methyl-3-phenyloxirane
- CAS: 14212-54-5
- CID: 123339
- InChiKey: YVCOJTATJWDGEU-UHFFFAOYSA-N
- InChi: InChI=1S/C9H10O/c1-7-9(10-7)8-5-3-2-4-6-8/h2-7,9H,1H3
- CanoSmiles: CC1C(O1)C2=CC=CC=C2
- IsoSmiles: CC1C(O1)C2=CC=CC=C2
