9O3
Summary
| Name: | 3,3,3-trifluoro-2,2-dihydroxypropanoic acid |
| Formula: | C3 H3 F3 O4 |
| Formal charge: | 0 |
| Formula weight: | 160.049 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 3,3,3-trifluoro-2,2-dihydroxypropanoic acid |
| OpenEye OEToolkits | 2.0.6 | 3,3,3-tris(fluoranyl)-2,2-bis(oxidanyl)propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C(C(C(O)=O)(O)O)(F)(F)F |
| InChI | InChI | 1.03 | InChI=1S/C3H3F3O4/c4-3(5,6)2(9,10)1(7)8/h9-10H,(H,7,8) |
| InChIKey | InChI | 1.03 | KWLJNSLMDANMQG-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)C(O)(O)C(F)(F)F |
| SMILES | CACTVS | 3.385 | OC(=O)C(O)(O)C(F)(F)F |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | C(=O)(C(C(F)(F)F)(O)O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | C(=O)(C(C(F)(F)F)(O)O)O |
