LRW
Summary
| Name: | (~{E})-3-[3-(trifluoromethyl)phenyl]prop-2-enoic acid |
| Formula: | C10 H7 F3 O2 |
| Formal charge: | 0 |
| Formula weight: | 216.157 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (~{E})-3-[3-(trifluoromethyl)phenyl]prop-2-enoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C10H7F3O2/c11-10(12,13)8-3-1-2-7(6-8)4-5-9(14)15/h1-6H,(H,14,15)/b5-4+ |
| InChIKey | InChI | 1.03 | KSBWHDDGWSYETA-SNAWJCMRSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)/C=C/c1cccc(c1)C(F)(F)F |
| SMILES | CACTVS | 3.385 | OC(=O)C=Cc1cccc(c1)C(F)(F)F |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(cc(c1)C(F)(F)F)/C=C/C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(cc(c1)C(F)(F)F)C=CC(=O)O |
