| CAS Number | 1016823-41-8 |
| Catalog Number | AG019MAO(AGN-PC-0WO8K1) |
| Chemical Name | 5-Oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxylic acid |
| IUPAC Name | 5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxylic acid |
| InChI | InChI=1S/C7H8F3NO3/c8-7(9,10)3-11-2-4(6(13)14)1-5(11)12/h4H,1-3H2,(H,13,14) |
| InChI Key | PWWZFHSEJSRPFA-UHFFFAOYSA-N |
| MDL Number | MFCD09944063 |
| Molecular Formula | C7H8F3NO3 |
| Molecular Weight | 211.1385 |
| SMILES | OC(C1CC(=O)N(CC(F)(F)F)C1)=O |
| Synonyms | 5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxylic acid,
1016823-41-8,
AC1Q74P6,
SCHEMBL4694373,
CTK7J0404,
AKOS000185655,
MCULE-4027889569,
NE14665,
EN300-35608,
Z367450872,
|
| Complexity | 263 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 211.046g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 211.14g/mol |
| Monoisotopic Mass | 211.046g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 57.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.1 |
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Certificate of Analysis
Lot Number