| CAS Number | 933709-26-3 |
| Catalog Number | AG00GYN2(AGN-PC-05F9YM) |
| Chemical Name | 1-Phenyl-3-pyrrolidinecarboxylic acid |
| IUPAC Name | 1-phenylpyrrolidine-3-carboxylic acid |
| InChI | InChI=1S/C11H13NO2/c13-11(14)9-6-7-12(8-9)10-4-2-1-3-5-10/h1-5,9H,6-8H2,(H,13,14) |
| InChI Key | IOFLKIRLUFZCHR-UHFFFAOYSA-N |
| MDL Number | MFCD09864921 |
| Molecular Formula | C11H13NO2 |
| Molecular Weight | 191.2264 |
| SMILES | O=C(C1CN(C2=CC=CC=C2)CC1)O |
| Synonyms | 1-Phenylpyrrolidine-3-carboxylic acid,
933709-26-3,
1-Phenyl-3-pyrrolidinecarboxylic acid,
SCHEMBL892785,
CTK7I9898,
DTXSID50679689,
5814AC,
ANW-60452,
MFCD09864921,
SBB053390,
AKOS006313596,
TC-149197,
(3R)-1-phenylpyrrolidine-3-carboxylic acid,
FT-0764255,
Z2234631183,
C11H13NO2,
1-Phenylpyrrolidine-3-carboxylicacid,
|
| 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 | 1.7 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number