| CAS Number | 1565404-20-7 |
| Catalog Number | AG01AC3L |
| Chemical Name | methyl 2-(3-methylpiperidin-1-yl)-2-oxoacetate |
| IUPAC Name | methyl 2-(3-methylpiperidin-1-yl)-2-oxoacetate |
| InChI | InChI=1S/C9H15NO3/c1-7-4-3-5-10(6-7)8(11)9(12)13-2/h7H,3-6H2,1-2H3 |
| InChI Key | MBFRBWQBQAMHLL-UHFFFAOYSA-N |
| MDL Number | MFCD25978443 |
| Molecular Formula | C9H15NO3 |
| Molecular Weight | 185.2203 |
| SMILES | COC(C(N1CC(C)CCC1)=O)=O |
| Synonyms | methyl 2-(3-methylpiperidin-1-yl)-2-oxoacetate,
1565404-20-7,
NE50239,
|
| Complexity | 215 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 185.105g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 185.223g/mol |
| Monoisotopic Mass | 185.105g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 46.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
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Certificate of Analysis
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