| CAS Number | 923171-94-2 |
| Catalog Number | AG019MEO |
| Chemical Name | 1-(2-Fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carboxylic acid |
| IUPAC Name | 1-(2-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carboxylic acid |
| InChI | InChI=1S/C12H12FNO3/c1-7-2-3-10(9(13)4-7)14-6-8(12(16)17)5-11(14)15/h2-4,8H,5-6H2,1H3,(H,16,17) |
| InChI Key | JVHLLKSGJDLKIZ-UHFFFAOYSA-N |
| MDL Number | MFCD08445157 |
| Molecular Formula | C12H12FNO3 |
| Molecular Weight | 237.2270 |
| SMILES | FC1=C(C=CC(=C1)C)N1CC(CC1=O)C(=O)O |
| Synonyms | 1-(2-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carboxylic acid,
923171-94-2,
AC1Q2IQJ,
CTK7I6559,
AKOS009113510,
MCULE-5766122029,
NE43003,
EN300-35962,
Z228589352,
|
| 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