| CAS Number | 53601-94-8 |
| Catalog Number | AG01A57G(AGN-PC-0OBX5V) |
| Chemical Name | 1,3-Diethyl 4-oxopiperidine-1,3-dicarboxylate |
| IUPAC Name | diethyl 4-oxopiperidine-1,3-dicarboxylate |
| InChI | InChI=1S/C11H17NO5/c1-3-16-10(14)8-7-12(6-5-9(8)13)11(15)17-4-2/h8H,3-7H2,1-2H3 |
| InChI Key | AOGHILIGDLQRGI-UHFFFAOYSA-N |
| MDL Number | MFCD24842812 |
| Molecular Formula | C11H17NO5 |
| Molecular Weight | 243.2564 |
| SMILES | CCOC(C1C(=O)CCN(C(OCC)=O)C1)=O |
| Synonyms | 1,3-diethyl 4-oxopiperidine-1,3-dicarboxylate,
53601-94-8,
SCHEMBL10654584,
1,3-Piperidinedicarboxylic acid, 4-oxo-, 1,3-diethyl ester,
NE42717,
|
| Complexity | 315 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 243.111g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 243.259g/mol |
| Monoisotopic Mass | 243.111g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 72.9A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number