VP3
Summary
| Name: | 4-(4-fluorophenyl)-4-oxobutanoic acid |
| Formula: | C10 H9 F O3 |
| Formal charge: | 0 |
| Formula weight: | 196.175 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-(4-fluorophenyl)-4-oxobutanoic acid |
| OpenEye OEToolkits | 2.0.7 | 4-(4-fluorophenyl)-4-oxidanylidene-butanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(CCC(=O)O)c1ccc(F)cc1 |
| InChI | InChI | 1.06 | InChI=1S/C10H9FO3/c11-8-3-1-7(2-4-8)9(12)5-6-10(13)14/h1-4H,5-6H2,(H,13,14) |
| InChIKey | InChI | 1.06 | WUYWHIAAQYQKPP-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)CCC(=O)c1ccc(F)cc1 |
| SMILES | CACTVS | 3.385 | OC(=O)CCC(=O)c1ccc(F)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1C(=O)CCC(=O)O)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1C(=O)CCC(=O)O)F |
