9NO
Summary
| Name: | 3,3-difluoro-2,2-dihydroxy-3-phenylpropanoic acid |
| Formula: | C9 H8 F2 O4 |
| Formal charge: | 0 |
| Formula weight: | 218.154 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 3,3-difluoro-2,2-dihydroxy-3-phenylpropanoic acid |
| OpenEye OEToolkits | 2.0.6 | 3,3-bis(fluoranyl)-2,2-bis(oxidanyl)-3-phenyl-propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)C(C(c1ccccc1)(F)F)(O)O |
| InChI | InChI | 1.03 | InChI=1S/C9H8F2O4/c10-8(11,9(14,15)7(12)13)6-4-2-1-3-5-6/h1-5,14-15H,(H,12,13) |
| InChIKey | InChI | 1.03 | KXZATYZRTLHUGB-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)C(O)(O)C(F)(F)c1ccccc1 |
| SMILES | CACTVS | 3.385 | OC(=O)C(O)(O)C(F)(F)c1ccccc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1ccc(cc1)C(C(C(=O)O)(O)O)(F)F |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1ccc(cc1)C(C(C(=O)O)(O)O)(F)F |
