6ZX
Summary
| Name: | (E)-3-(4-chlorophenyl)but-2-enoic acid |
| Formula: | C10 H9 Cl O2 |
| Formal charge: | 0 |
| Formula weight: | 196.63 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 1.7.6 | (E)-3-(4-chlorophenyl)but-2-enoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C10H9ClO2/c1-7(6-10(12)13)8-2-4-9(11)5-3-8/h2-6H,1H3,(H,12,13)/b7-6+ |
| InChIKey | InChI | 1.03 | SINDTVUVNPIJMY-VOTSOKGWSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=C/C(O)=O)\c1ccc(Cl)cc1 |
| SMILES | CACTVS | 3.385 | CC(=CC(O)=O)c1ccc(Cl)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C/C(=C\C(=O)O)/c1ccc(cc1)Cl |
| SMILES | OpenEye OEToolkits | 1.7.6 | CC(=CC(=O)O)c1ccc(cc1)Cl |
