| CAS Number | 1252657-81-0 |
| Catalog Number | AG01BEVS(AGN-PC-0WOTDO) |
| Chemical Name | 1-Phenylpyrrolidine-2-Carboxylic Acid |
| IUPAC Name | 1-phenylpyrrolidine-2-carboxylic acid |
| InChI | InChI=1S/C11H13NO2/c13-11(14)10-7-4-8-12(10)9-5-2-1-3-6-9/h1-3,5-6,10H,4,7-8H2,(H,13,14) |
| InChI Key | ZZMSDLWVAMNVOD-UHFFFAOYSA-N |
| MDL Number | MFCD03001356 |
| Molecular Formula | C11H13NO2 |
| Molecular Weight | 191.2264 |
| SMILES | C1CC(N(C1)C2=CC=CC=C2)C(=O)O |
| Synonyms | 1-phenylpyrrolidine-2-carboxylic acid,
1252657-81-0,
139983-29-2,
(2s,3r)-phenylproline,
(-)-1-Phenylpyrrolidine-2-carboxylic acid,
SCHEMBL630857,
AKOS022844564,
NE36420,
CS-0080804,
F2167-0785,
Z1889917194,
Sodium 1-phenylpyrrolidine-2-carboxylate,
|
| Complexity | 211 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 191.095g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 191.23g/mol |
| Monoisotopic Mass | 191.095g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 40.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number