| CAS Number | 1218258-52-6 |
| Catalog Number | AG01A8MP |
| Chemical Name | 3-[(3-methoxyphenyl)amino]pyrrolidine-2,5-dione |
| IUPAC Name | 3-(3-methoxyanilino)pyrrolidine-2,5-dione |
| InChI | InChI=1S/C11H12N2O3/c1-16-8-4-2-3-7(5-8)12-9-6-10(14)13-11(9)15/h2-5,9,12H,6H2,1H3,(H,13,14,15) |
| InChI Key | DHYQKQNALHEFGK-UHFFFAOYSA-N |
| MDL Number | MFCD12099363 |
| Molecular Formula | C11H12N2O3 |
| Molecular Weight | 220.2246 |
| SMILES | COC1=CC(NC2C(=O)NC(=O)C2)=CC=C1 |
| Synonyms | 3-[(3-methoxyphenyl)amino]pyrrolidine-2,5-dione,
1218258-52-6,
AC1Q48UP,
AKOS009833861,
NE25660,
EN300-62034,
Z2471187087,
|
| Complexity | 293 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 220.085g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 220.228g/mol |
| Monoisotopic Mass | 220.085g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 67.4A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number