| CAS Number | 1461708-55-3 |
| Catalog Number | AG01A6TL |
| Chemical Name | 1-[(4-nitrophenyl)methyl]piperidine-2,6-dione |
| IUPAC Name | 1-[(4-nitrophenyl)methyl]piperidine-2,6-dione |
| InChI | InChI=1S/C12H12N2O4/c15-11-2-1-3-12(16)13(11)8-9-4-6-10(7-5-9)14(17)18/h4-7H,1-3,8H2 |
| InChI Key | FRAGOVMVAASSOM-UHFFFAOYSA-N |
| MDL Number | MFCD25970430 |
| Molecular Formula | C12H12N2O4 |
| Molecular Weight | 248.2347 |
| SMILES | [O-][N+](C1=CC=C(CN2C(=O)CCCC2=O)C=C1)=O |
| Synonyms | 1-[(4-nitrophenyl)methyl]piperidine-2,6-dione,
1461708-55-3,
ZINC95348308,
|
| Complexity | 340 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 248.08g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 248.238g/mol |
| Monoisotopic Mass | 248.08g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 83.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number