| CAS Number | 1343115-14-9 |
| Catalog Number | AG01C5HZ |
| Chemical Name | 4,4,4-Trifluoro-3-methoxybutanoic acid |
| IUPAC Name | 4,4,4-trifluoro-3-methoxybutanoic acid |
| InChI | InChI=1S/C5H7F3O3/c1-11-3(2-4(9)10)5(6,7)8/h3H,2H2,1H3,(H,9,10) |
| InChI Key | XZMRZTOUMNVPQY-UHFFFAOYSA-N |
| MDL Number | MFCD17287386 |
| Molecular Formula | C5H7F3O3 |
| Molecular Weight | 172.1025 |
| SMILES | COC(C(F)(F)F)CC(O)=O |
| Synonyms | 4,4,4-trifluoro-3-methoxybutanoic acid,
1343115-14-9,
SCHEMBL3634961,
AKOS012374724,
4,4,4-trifluoro-3-methoxybutanic acid,
|
| Complexity | 142 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 172.035g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 172.103g/mol |
| Monoisotopic Mass | 172.035g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number