| CAS Number | 201483-14-9 |
| Catalog Number | AG01C48T(AGN-PC-0LYFOS) |
| Chemical Name | 4-Oxo-4-(2,2,2-trifluoroethoxy)butanoic acid |
| IUPAC Name | 4-oxo-4-(2,2,2-trifluoroethoxy)butanoic acid |
| InChI | InChI=1S/C6H7F3O4/c7-6(8,9)3-13-5(12)2-1-4(10)11/h1-3H2,(H,10,11) |
| InChI Key | WEFVNIMFBIHCCY-UHFFFAOYSA-N |
| MDL Number | MFCD01884063 |
| Molecular Formula | C6H7F3O4 |
| Molecular Weight | 200.1126 |
| SMILES | OC(CCC(OCC(F)(F)F)=O)=O |
| Synonyms | 4-oxo-4-(2,2,2-trifluoroethoxy)butanoic acid,
201483-14-9,
AC1MN8VJ,
SCHEMBL9592005,
ZINC4599801,
STK072374,
AKOS005390478,
MCULE-5105759587,
Z2380469113,
CID3274110,
|
| Complexity | 199 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 200.03g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 200.113g/mol |
| Monoisotopic Mass | 200.03g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 63.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number