| CAS Number | 1187927-05-4 |
| Catalog Number | AG0092ME |
| Chemical Name | rac-(2R,3S)-2-phenylpyrrolidine-3-carboxylic acid hydrochloride |
| IUPAC Name | (2S,3R)-2-phenylpyrrolidine-3-carboxylic acid;hydrochloride |
| InChI | InChI=1S/C11H13NO2.ClH/c13-11(14)9-6-7-12-10(9)8-4-2-1-3-5-8;/h1-5,9-10,12H,6-7H2,(H,13,14);1H/t9-,10-;/m1./s1 |
| InChI Key | CLBXHARXLYHVIZ-DHTOPLTISA-N |
| MDL Number | MFCD12913814 |
| Molecular Formula | C11H14ClNO2 |
| Molecular Weight | 227.6874 |
| SMILES | C(O)(=O)[C@@H]1[C@@H](NCC1)C2=CC=CC=C2.Cl |
| Synonyms | 1187927-05-4,
CIS-2-PHENYL-PYRROLIDINE-3-CARBOXYLIC ACID HYDROCHLORIDE,
AKOS034811336,
(2S,3R)-2-phenylpyrrolidine-3-carboxylic acid hydrochloride,
|
| Complexity | 211 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 227.071g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 227.688g/mol |
| Monoisotopic Mass | 227.071g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 49.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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