9O6
Summary
| Name: | (2R,3S)-3-fluoro-2-hydroxy-3-phenylpropanoic 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 | (2R,3S)-3-fluoro-2-hydroxy-3-phenylpropanoic acid |
| OpenEye OEToolkits | 2.0.6 | (2~{R},3~{S})-3-fluoranyl-2-oxidanyl-3-phenyl-propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c1cccc(c1)C(C(O)C(=O)O)F |
| InChI | InChI | 1.03 | InChI=1S/C9H9FO3/c10-7(8(11)9(12)13)6-4-2-1-3-5-6/h1-5,7-8,11H,(H,12,13)/t7-,8-/m0/s1 |
| InChIKey | InChI | 1.03 | POQABCILWJYWJF-YUMQZZPRSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O[C@@H]([C@@H](F)c1ccccc1)C(O)=O |
| SMILES | CACTVS | 3.385 | O[CH]([CH](F)c1ccccc1)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1ccc(cc1)[C@@H]([C@@H](C(=O)O)O)F |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1ccc(cc1)C(C(C(=O)O)O)F |
