| CAS Number | 1246218-76-7 |
| Catalog Number | AG018S64(AGN-PC-0WOR5P) |
| Chemical Name | 4,4,4-Trifluoro-3,3-dimethylbutanoic acid |
| IUPAC Name | 4,4,4-trifluoro-3,3-dimethylbutanoic acid |
| InChI | InChI=1S/C6H9F3O2/c1-5(2,3-4(10)11)6(7,8)9/h3H2,1-2H3,(H,10,11) |
| InChI Key | RMYUXDFMYRGZNC-UHFFFAOYSA-N |
| MDL Number | MFCD20659710 |
| Molecular Formula | C6H9F3O2 |
| Molecular Weight | 170.1297 |
| SMILES | OC(=O)CC(C)(C)C(F)(F)F |
| Synonyms | 4,4,4-trifluoro-3,3-dimethylbutanoic acid,
1246218-76-7,
SCHEMBL2301499,
RMYUXDFMYRGZNC-UHFFFAOYSA-N,
MFCD20659710,
ZINC17414313,
AKOS023667107,
BS-13560,
4,4,4-Trifluoro-3,3-dimethyl-butyric acid,
F8887-6138,
|
| Complexity | 160 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 170.055g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 170.131g/mol |
| Monoisotopic Mass | 170.055g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number