4LW
Summary
| Name: | (2Z)-2-fluoro-3-phenylprop-2-enoic acid |
| Formula: | C9 H7 F O2 |
| Formal charge: | 0 |
| Formula weight: | 166.149 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2Z)-2-fluoro-3-phenylprop-2-enoic acid |
| OpenEye OEToolkits | 1.9.2 | (Z)-2-fluoranyl-3-phenyl-prop-2-enoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | F\C(=C/c1ccccc1)C(O)=O |
| InChI | InChI | 1.03 | InChI=1S/C9H7FO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-6H,(H,11,12)/b8-6- |
| InChIKey | InChI | 1.03 | QONCEXMULRJPPY-VURMDHGXSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)C(/F)=C/c1ccccc1 |
| SMILES | CACTVS | 3.385 | OC(=O)C(F)=Cc1ccccc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1ccc(cc1)/C=C(/C(=O)O)\F |
| SMILES | OpenEye OEToolkits | 1.9.2 | c1ccc(cc1)C=C(C(=O)O)F |
