| CAS Number | 383193-66-6 |
| Catalog Number | AG00CMJ3(AGN-PC-0224D0) |
| Chemical Name | 4-Oxopiperidine-1-carbaldehyde |
| IUPAC Name | 4-oxopiperidine-1-carbaldehyde |
| InChI | InChI=1S/C6H9NO2/c8-5-7-3-1-6(9)2-4-7/h5H,1-4H2 |
| InChI Key | NMDUFFZOCLWSIP-UHFFFAOYSA-N |
| MDL Number | MFCD18810967 |
| Molecular Formula | C6H9NO2 |
| Molecular Weight | 127.1412 |
| SMILES | O=CN1CCC(=O)CC1 |
| Synonyms | 4-oxopiperidine-1-carbaldehyde,
383193-66-6,
formylpiperid-4-one,
N-formyl-4-piperidone,
SCHEMBL667439,
ZINC39077573,
AKOS013569008,
NE44223,
1-Piperidinecarboxaldehyde,4-oxo-(9CI),
1-Piperidinecarboxaldehyde, 4-oxo- (9CI),
|
| Complexity | 123 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 127.063g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 127.143g/mol |
| Monoisotopic Mass | 127.063g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 37.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.8 |
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Certificate of Analysis
Lot Number