| CAS Number | 113558-92-2 |
| Catalog Number | AG01A6E6(AGN-PC-0P5124) |
| Chemical Name | 1-Benzoyl-pyrrolidine-3-carboxylic acid |
| IUPAC Name | 1-benzoylpyrrolidine-3-carboxylic acid |
| InChI | InChI=1S/C12H13NO3/c14-11(9-4-2-1-3-5-9)13-7-6-10(8-13)12(15)16/h1-5,10H,6-8H2,(H,15,16) |
| InChI Key | GCFZAZFRGJPWMV-UHFFFAOYSA-N |
| MDL Number | MFCD12028525 |
| Molecular Formula | C12H13NO3 |
| Molecular Weight | 219.2365 |
| SMILES | C(C1=CC=CC=C1)(=O)N1CC(CC1)C(=O)O |
| Synonyms | 1-BENZOYL-PYRROLIDINE-3-CARBOXYLIC ACID,
1-benzoylpyrrolidine-3-carboxylic acid,
113558-92-2,
J-504236,
CTK7I9887,
MFCD12028525,
1-Benzoylpyrrolidin-3-carboxylic acid,
AKOS012305428,
CCG-211438,
SC-91099,
TR-061681,
F1908-1157,
Z1455176738,
|
| Complexity | 284 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 219.09g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 219.24g/mol |
| Monoisotopic Mass | 219.09g/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