| CAS Number | 1392211-71-0 |
| Catalog Number | AG009G72(AGN-PC-0WNWOS) |
| Chemical Name | (+/-)-Trans-4-(4-hydroxy-phenyl)-pyrrolidine-3-carboxylic acid-hcl |
| IUPAC Name | 4-(4-hydroxyphenyl)pyrrolidine-3-carboxylic acid;hydrochloride |
| InChI | InChI=1S/C11H13NO3.ClH/c13-8-3-1-7(2-4-8)9-5-12-6-10(9)11(14)15;/h1-4,9-10,12-13H,5-6H2,(H,14,15);1H |
| InChI Key | FEGJNIKGVWOYLO-UHFFFAOYSA-N |
| MDL Number | MFCD06659308 |
| Molecular Formula | C11H14ClNO3 |
| Molecular Weight | 243.6868 |
| SMILES | Cl.OC([C@H]1[C@H](C2=CC=C(O)C=C2)CNC1)=O |
| Synonyms | 4-(4-hydroxyphenyl)pyrrolidine-3-carboxylic acid hydrochloride,
1808717-05-6,
(3R,4S)-rel-4-(4-Hydroxyphenyl)pyrrolidine-3-carboxylic acid hydrochloride,
1392211-71-0,
AKOS027196590,
EN300-222290,
Z2210831717,
|
| Complexity | 236 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 243.066g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 243.687g/mol |
| Monoisotopic Mass | 243.066g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 69.6A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number