FBG
Summary
| Name: | 6-fluoro-4H-1,3-benzodioxine-8-carboxylic acid |
| Formula: | C9 H7 F O4 |
| Formal charge: | 0 |
| Formula weight: | 198.148 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 6-fluoro-4H-1,3-benzodioxine-8-carboxylic acid |
| OpenEye OEToolkits | 1.7.6 | 6-fluoranyl-4H-1,3-benzodioxine-8-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)c2cc(F)cc1c2OCOC1 |
| InChI | InChI | 1.03 | InChI=1S/C9H7FO4/c10-6-1-5-3-13-4-14-8(5)7(2-6)9(11)12/h1-2H,3-4H2,(H,11,12) |
| InChIKey | InChI | 1.03 | HWBALMSPYAUMMB-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | OC(=O)c1cc(F)cc2COCOc12 |
| SMILES | CACTVS | 3.370 | OC(=O)c1cc(F)cc2COCOc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1c(cc(c2c1COCO2)C(=O)O)F |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1c(cc(c2c1COCO2)C(=O)O)F |
