A1IB0
Summary
| Name: | ethyl 3-ethanoylbicyclo[1.1.1]pentane-1-carboxylate |
| Formula: | C10 H13 Cl O3 |
| Formal charge: | 0 |
| Formula weight: | 216.661 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ethyl 3-(2-chloranylethanoyl)bicyclo[1.1.1]pentane-1-carboxylate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C10H13ClO3/c1-2-14-8(13)10-4-9(5-10,6-10)7(12)3-11/h2-6H2,1H3/t9-,10+ |
| InChIKey | InChI | 1.06 | UNWFKVXFPGQEJB-AOOOYVTPSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCOC(=O)C12CC(C1)(C2)C(=O)CCl |
| SMILES | CACTVS | 3.385 | CCOC(=O)C12CC(C1)(C2)C(=O)CCl |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCOC(=O)C12CC(C1)(C2)C(=O)CCl |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCOC(=O)C12CC(C1)(C2)C(=O)CCl |
