QXU
Summary
| Name: | 1-[(2~{S},3~{R})-3-phenyloxiran-2-yl]ethanone |
| Formula: | C10 H10 O2 |
| Formal charge: | 0 |
| Formula weight: | 162.185 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 3.1.0.0 | 1-[(2~{S},3~{R})-3-phenyloxiran-2-yl]ethanone |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C10H10O2/c1-7(11)9-10(12-9)8-5-3-2-4-6-8/h2-6,9-10H,1H3/t9-,10-/m1/s1 |
| InChIKey | InChI | 1.06 | IGCQIHCZUYCYAA-NXEZZACHSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)[C@H]1O[C@@H]1c2ccccc2 |
| SMILES | CACTVS | 3.385 | CC(=O)[CH]1O[CH]1c2ccccc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | CC(=O)[C@@H]1[C@H](O1)c2ccccc2 |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | CC(=O)C1C(O1)c2ccccc2 |
