FHC
Summary
| Name: | 2-FLUORO-3-(4-HYDROXYPHENYL)-2E-PROPENEOATE |
| Synonyms: | (E)-2-FLUORO-P-HYDROXYCINNAMATE |
| Formula: | C9 H6 F O3 |
| Formal charge: | -1 |
| Formula weight: | 181.141 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (2E)-2-fluoro-3-(4-hydroxyphenyl)prop-2-enoate |
| OpenEye OEToolkits | 1.5.0 | (E)-2-fluoro-3-(4-hydroxyphenyl)prop-2-enoate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | [O-]C(=O)C(/F)=C\c1ccc(O)cc1 |
| SMILES_CANONICAL | CACTVS | 3.341 | Oc1ccc(cc1)\C=C(F)/C([O-])=O |
| SMILES | CACTVS | 3.341 | Oc1ccc(cc1)C=C(F)C([O-])=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc(ccc1\C=C(/C(=O)[O-])\F)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1cc(ccc1C=C(C(=O)[O-])F)O |
| InChI | InChI | 1.03 | InChI=1S/C9H7FO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-5,11H,(H,12,13)/p-1/b8-5+ |
| InChIKey | InChI | 1.03 | SBIZDOWXYPNTOJ-VMPITWQZSA-M |
