A1ES3
Summary
| Name: | 3-[4-(trifluoromethyl)phenyl]propanoic acid |
| Formula: | C10 H9 F3 O2 |
| Formal charge: | 0 |
| Formula weight: | 218.172 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 3-[4-(trifluoromethyl)phenyl]propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C10H9F3O2/c11-10(12,13)8-4-1-7(2-5-8)3-6-9(14)15/h1-2,4-5H,3,6H2,(H,14,15) |
| InChIKey | InChI | 1.06 | OEIUMLSCWINLBB-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)CCc1ccc(cc1)C(F)(F)F |
| SMILES | CACTVS | 3.385 | OC(=O)CCc1ccc(cc1)C(F)(F)F |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1CCC(=O)O)C(F)(F)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1CCC(=O)O)C(F)(F)F |
