| CAS Number | 1881328-70-6 |
| Catalog Number | AG00I2HP(AGN-PC-0WQZ84) |
| Chemical Name | 1-(Diphenylmethyl)-2-oxopyrrolidine-3-carboxylic acid |
| IUPAC Name | 1-benzhydryl-2-oxopyrrolidine-3-carboxylic acid |
| InChI | InChI=1S/C18H17NO3/c20-17-15(18(21)22)11-12-19(17)16(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,15-16H,11-12H2,(H,21,22) |
| InChI Key | VVJKSRQOKSMTDT-UHFFFAOYSA-N |
| MDL Number | MFCD29043330 |
| Molecular Formula | C18H17NO3 |
| Molecular Weight | 295.3325 |
| SMILES | OC(=O)C1CCN(C1=O)C(c1ccccc1)c1ccccc1 |
| Synonyms | 1881328-70-6,
1-Benzhydryl-2-oxopyrrolidine-3-carboxylic acid,
1-(DIPHENYLMETHYL)-2-OXOPYRROLIDINE-3-CARBOXYLIC ACID,
AKOS027353986,
|
| Complexity | 393 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 295.121g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 295.338g/mol |
| Monoisotopic Mass | 295.121g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 57.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number