| CAS Number | 17038-83-4 |
| Catalog Number | AG00ATSZ(AGN-PC-0WD2T4) |
| Chemical Name | Methyl 1-acetyl-4-oxopiperidine-3-carboxylate |
| IUPAC Name | methyl 1-acetyl-4-oxopiperidine-3-carboxylate |
| InChI | InChI=1S/C9H13NO4/c1-6(11)10-4-3-8(12)7(5-10)9(13)14-2/h7H,3-5H2,1-2H3 |
| InChI Key | SIAOHJSZJXTQGK-UHFFFAOYSA-N |
| MDL Number | MFCD22576169 |
| Molecular Formula | C9H13NO4 |
| Molecular Weight | 199.2038 |
| SMILES | COC(=O)C1CN(CCC1=O)C(=O)C |
| Synonyms | Methyl 1-acetyl-4-oxopiperidine-3-carboxylate,
17038-83-4,
1-Acetyl-4-oxo-3-piperidinecarboxylic acid methyl ester,
SCHEMBL2447519,
DTXSID30556489,
SIAOHJSZJXTQGK-UHFFFAOYSA-N,
MFCD22576169,
FCH2305257,
AX8258426,
methyl 1-acetyl-4-oxopiperidin-3-carboxylate,
3-Piperidinecarboxylic acid, 1-acetyl-4-oxo-, methyl ester,
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| Complexity | 274 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 199.084g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 199.206g/mol |
| Monoisotopic Mass | 199.084g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 63.7A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number