LLU
Summary
| Name: | (2S)-2-(2-fluorophenoxy)propanoic acid |
| Formula: | C9 H9 F O3 |
| Formal charge: | 0 |
| Formula weight: | 184.164 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2S)-2-(2-fluorophenoxy)propanoic acid |
| OpenEye OEToolkits | 2.0.7 | (2~{S})-2-(2-fluoranylphenoxy)propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | CC(Oc1ccccc1F)C(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C9H9FO3/c1-6(9(11)12)13-8-5-3-2-4-7(8)10/h2-6H,1H3,(H,11,12)/t6-/m0/s1 |
| InChIKey | InChI | 1.03 | MMWXPDDADHYFFS-LURJTMIESA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@H](Oc1ccccc1F)C(O)=O |
| SMILES | CACTVS | 3.385 | C[CH](Oc1ccccc1F)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@@H](C(=O)O)Oc1ccccc1F |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C(=O)O)Oc1ccccc1F |
