| CAS Number | 67117-22-0 |
| Catalog Number | AG005R4V(AGN-PC-0WOQ8H) |
| Chemical Name | 1-Benzyl-3-hydroxypyrrolidine-3-carboxylic acid |
| IUPAC Name | 1-benzyl-3-hydroxypyrrolidine-3-carboxylic acid |
| InChI | InChI=1S/C12H15NO3/c14-11(15)12(16)6-7-13(9-12)8-10-4-2-1-3-5-10/h1-5,16H,6-9H2,(H,14,15) |
| InChI Key | MHWPERVDOCXFFR-UHFFFAOYSA-N |
| MDL Number | MFCD09608015 |
| Molecular Formula | C12H15NO3 |
| Molecular Weight | 221.2524 |
| SMILES | OC(C1(CN(CC2=CC=CC=C2)CC1)O)=O |
| Synonyms | 1-benzyl-3-hydroxypyrrolidine-3-carboxylic acid,
67117-22-0,
1-BENZYL-3-HYDROXY-3-PYRROLIDINECARBOXYLIC ACID,
SCHEMBL11544321,
CTK5C5755,
DTXSID60606663,
MHWPERVDOCXFFR-UHFFFAOYSA-N,
MFCD09608015,
AKOS005363018,
MCULE-7409852379,
NE54348,
BS-12254,
FT-0715070,
EN300-77096,
Z1259339921,
1-Benzyl-3-hydroxy-3-pyrrolidinecarboxylicacid,
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| Complexity | 263 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 221.105g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 221.256g/mol |
| Monoisotopic Mass | 221.105g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 60.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -1.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number