| CAS Number | 1031130-72-9 |
| Catalog Number | AG019LM0(AGN-PC-0WO6E4) |
| Chemical Name | 2-oxo-6-(trifluoromethyl)piperidine-3-carboxylic acid |
| IUPAC Name | 2-oxo-6-(trifluoromethyl)piperidine-3-carboxylic acid |
| InChI | InChI=1S/C7H8F3NO3/c8-7(9,10)4-2-1-3(6(13)14)5(12)11-4/h3-4H,1-2H2,(H,11,12)(H,13,14) |
| InChI Key | LZNMZDLBBNVQQL-UHFFFAOYSA-N |
| MDL Number | MFCD09971551 |
| Molecular Formula | C7H8F3NO3 |
| Molecular Weight | 211.1385 |
| SMILES | OC(C1C(=O)NC(C(F)(F)F)CC1)=O |
| Synonyms | 2-oxo-6-(trifluoromethyl)piperidine-3-carboxylic acid,
1031130-72-9,
AC1Q74F0,
CTK7I8234,
AKOS005135846,
MCULE-9910341328,
NE19451,
EN300-31734,
Z336481588,
|
| 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 | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 211.14g/mol |
| Monoisotopic Mass | 211.046g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 66.4A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number