| CAS Number | 1016854-20-8 |
| Catalog Number | AG019LLQ(AGN-PC-0WO3HE) |
| Chemical Name | 3-(2,2,2-Trifluoroethoxy)propanoic acid |
| IUPAC Name | 3-(2,2,2-trifluoroethoxy)propanoic acid |
| InChI | InChI=1S/C5H7F3O3/c6-5(7,8)3-11-2-1-4(9)10/h1-3H2,(H,9,10) |
| InChI Key | BLTBOTISMYWTBX-UHFFFAOYSA-N |
| MDL Number | MFCD09940500 |
| Molecular Formula | C5H7F3O3 |
| Molecular Weight | 172.1025 |
| SMILES | OC(CCOCC(F)(F)F)=O |
| Synonyms | 3-(2,2,2-trifluoroethoxy)propanoic acid,
1016854-20-8,
AC1Q75Q3,
SCHEMBL4638213,
CTK7J4543,
MFCD09940500,
ZINC19483108,
AKOS000183222,
MCULE-4631364728,
NE30202,
EN300-31713,
F2135-0384,
|
| Complexity | 131 |
| 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 | 4 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number