9ZE
Summary
| Name: | 1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone |
| Formula: | C10 H10 O3 |
| Formal charge: | 0 |
| Formula weight: | 178.185 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone |
| OpenEye OEToolkits | 1.7.6 | 1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(c1ccc2OCCOc2c1)C |
| InChI | InChI | 1.03 | InChI=1S/C10H10O3/c1-7(11)8-2-3-9-10(6-8)13-5-4-12-9/h2-3,6H,4-5H2,1H3 |
| InChIKey | InChI | 1.03 | HGVWMTAIIYNQSI-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)c1ccc2OCCOc2c1 |
| SMILES | CACTVS | 3.385 | CC(=O)c1ccc2OCCOc2c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CC(=O)c1ccc2c(c1)OCCO2 |
| SMILES | OpenEye OEToolkits | 1.7.6 | CC(=O)c1ccc2c(c1)OCCO2 |
