| CAS Number | 1315366-88-1 |
| Catalog Number | AG01AJGG |
| Chemical Name | 4-(hydroxymethyl)-5-(4-methoxyphenyl)-1-methylpyrrolidin-2-one |
| IUPAC Name | 4-(hydroxymethyl)-5-(4-methoxyphenyl)-1-methylpyrrolidin-2-one |
| InChI | InChI=1S/C13H17NO3/c1-14-12(16)7-10(8-15)13(14)9-3-5-11(17-2)6-4-9/h3-6,10,13,15H,7-8H2,1-2H3 |
| InChI Key | JGWMURNQDNQMFL-UHFFFAOYSA-N |
| MDL Number | MFCD19382290 |
| Molecular Formula | C13H17NO3 |
| Molecular Weight | 235.2790 |
| SMILES | COC1=CC=C(C2N(C)C(=O)CC2CO)C=C1 |
| Synonyms | 4-(hydroxymethyl)-5-(4-methoxyphenyl)-1-methylpyrrolidin-2-one,
1315366-88-1,
NE43468,
EN300-80659,
|
| Complexity | 274 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 235.121g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 235.283g/mol |
| Monoisotopic Mass | 235.121g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 49.8A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number