SJ8
Summary
| Name: | (~{E})-3-(4-fluorophenyl)prop-2-enoic acid |
| Formula: | C9 H7 F O2 |
| Formal charge: | 0 |
| Formula weight: | 166.149 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (~{E})-3-(4-fluorophenyl)prop-2-enoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C9H7FO2/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6H,(H,11,12)/b6-3+ |
| InChIKey | InChI | 1.03 | ISMMYAZSUSYVQG-ZZXKWVIFSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)/C=C/c1ccc(F)cc1 |
| SMILES | CACTVS | 3.385 | OC(=O)C=Cc1ccc(F)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1/C=C/C(=O)O)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1C=CC(=O)O)F |
