2-(phenylmethoxymethyl)oxirane | SBID = 2675 | Compound |
Structure
Molecular Properties
| Interactions: | 2 | ||
| PubChem TPSA/Å2: | 21.8 | ||
| Ertl TPSA/Å2: | 21.76 | ||
| Hydrophilicity (PubChem XLogP): | 1.3 | ||
| Hydrophilicity (Cheng XLogP3): | 1.27 | ||
| Charge: | 0.0 | ||
| Number of H-Bond Donors: | 0.0 | ||
| Number of H-Bond Acceptors: | 2.0 | ||
| Number of Stereogenic Bonds (E/Z): | 0.0 | ||
| Number of Stereogenic Atoms (R/S): | 1.0 | ||
| 3D Volume/Å3: | 137.0 | ||
| Sum Formula: | C10H12O2 | ||
| M / g/mol: | 164.2 | ||
| Complexity: | 130.0 | ||
| Number of Conformers: | 10.0 |
Identifiers
- Tags:
- Name: 2-(phenylmethoxymethyl)oxirane
- Preferred Abbreviation: Benzyl glycidyl ether
- IUPAC Name: 2-(phenylmethoxymethyl)oxirane
- CAS:
- CID: 94247
- InChiKey: QNYBOILAKBSWFG-UHFFFAOYSA-N
- InChi: InChI=1S/C10H12O2/c1-2-4-9(5-3-1)6-11-7-10-8-12-10/h1-5,10H,6-8H2
- CanoSmiles: C1C(O1)COCC2=CC=CC=C2
- IsoSmiles: C1C(O1)COCC2=CC=CC=C2
