| CAS Number | 5632-70-2 |
| Catalog Number | AG00IA26(AGN-PC-0WG4VF) |
| Chemical Name | ethyl 6-oxo-3-phenylpiperidine-3-carboxylate |
| IUPAC Name | ethyl 6-oxo-3-phenylpiperidine-3-carboxylate |
| InChI | InChI=1S/C14H17NO3/c1-2-18-13(17)14(9-8-12(16)15-10-14)11-6-4-3-5-7-11/h3-7H,2,8-10H2,1H3,(H,15,16) |
| InChI Key | KGVOSBMAMZNMNM-UHFFFAOYSA-N |
| MDL Number | MFCD28992222 |
| Molecular Formula | C14H17NO3 |
| Molecular Weight | 247.2897 |
| SMILES | CCOC(=O)C1(CCC(=NC1)O)C2=CC=CC=C2 |
| Synonyms | Ethyl 6-oxo-3-phenylpiperidine-3-carboxylate,
5632-70-2,
MFCD28992222,
CS-0036026,
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| Complexity | 323 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 247.121g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 247.294g/mol |
| Monoisotopic Mass | 247.121g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 55.4A^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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