A1ICA
Summary
| Name: | (2E)-3-(4-chlorophenyl)prop-2-enal |
| Synonyms: | (~{E})-3-(4-chlorophenyl)prop-2-en-1-ol |
| Formula: | C9 H9 Cl O |
| Formal charge: | 0 |
| Formula weight: | 168.62 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (~{E})-3-(4-chlorophenyl)prop-2-en-1-ol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C9H9ClO/c10-9-5-3-8(4-6-9)2-1-7-11/h1-6,11H,7H2/b2-1+ |
| InChIKey | InChI | 1.06 | HFMHVOCTLZMPRY-OWOJBTEDSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC\C=C\c1ccc(Cl)cc1 |
| SMILES | CACTVS | 3.385 | OCC=Cc1ccc(Cl)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1/C=C/CO)Cl |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1C=CCO)Cl |
