| CAS Number | 63675-02-5 |
| Catalog Number | AG01A5FL(AGN-PC-0BIGII) |
| Chemical Name | 1-(4-Fluoro-3-methylphenyl)-5-oxopyrrolidine-3-carboxylic acid |
| IUPAC Name | 1-(4-fluoro-3-methylphenyl)-5-oxopyrrolidine-3-carboxylic acid |
| InChI | InChI=1S/C12H12FNO3/c1-7-4-9(2-3-10(7)13)14-6-8(12(16)17)5-11(14)15/h2-4,8H,5-6H2,1H3,(H,16,17) |
| InChI Key | UTSIKWMYNNYFSX-UHFFFAOYSA-N |
| MDL Number | MFCD17128925 |
| Molecular Formula | C12H12FNO3 |
| Molecular Weight | 237.2270 |
| SMILES | O=C(C(C1)CN(C2=CC=C(F)C(C)=C2)C1=O)O |
| Synonyms | 1-(4-fluoro-3-methylphenyl)-5-oxopyrrolidine-3-carboxylic acid,
63675-02-5,
AKOS012105731,
NE39666,
1-(4-fluoro-3-methylphenyl)-5-oxo-3-pyrrolidinecarboxylic acid,
|
| Complexity | 334 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 237.08g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 237.23g/mol |
| Monoisotopic Mass | 237.08g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 57.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number