| CAS Number | 38175-34-7 |
| Catalog Number | AG00BXPV(AGN-PC-05IXXW) |
| Chemical Name | 4-(3-Methoxyphenyl)pyrrolidin-2-one |
| IUPAC Name | 4-(3-methoxyphenyl)pyrrolidin-2-one |
| InChI | InChI=1S/C11H13NO2/c1-14-10-4-2-3-8(5-10)9-6-11(13)12-7-9/h2-5,9H,6-7H2,1H3,(H,12,13) |
| InChI Key | WXYBKTGQFCNOBB-UHFFFAOYSA-N |
| MDL Number | MFCD09955049 |
| Molecular Formula | C11H13NO2 |
| Molecular Weight | 191.2264 |
| SMILES | COC1=CC(C2CC(=O)NC2)=CC=C1 |
| Synonyms | 38175-34-7,
4-(3-METHOXYPHENYL)PYRROLIDIN-2-ONE,
4-(3'-methoxyphenyl)-2-pyrrolidinone,
249747-15-7,
SCHEMBL1268402,
DTXSID40496983,
MFCD09955049,
AKOS006314439,
NE34874,
2-Pyrrolidinone, 4-(3-methoxyphenyl)-,
AS-38288,
175M347,
4- -2-pyrrolidinone,
(S)-4-(3-METHOXYPHENYL)PYRROLIDIN-2-ONE,
|
| Complexity | 217 |
| 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 | 2 |
| 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 | 38.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number