| CAS Number | 1823776-36-8 |
| Catalog Number | AG019ES9(AGN-PC-0WG4UG) |
| Chemical Name | tert-Butyl 2-(4-methoxyphenyl)-4-oxopiperidine-1-carboxylate |
| IUPAC Name | tert-butyl 2-(4-methoxyphenyl)-4-oxopiperidine-1-carboxylate |
| InChI | InChI=1S/C17H23NO4/c1-17(2,3)22-16(20)18-10-9-13(19)11-15(18)12-5-7-14(21-4)8-6-12/h5-8,15H,9-11H2,1-4H3 |
| InChI Key | YYOVHLBZTLRKCY-UHFFFAOYSA-N |
| MDL Number | MFCD28119028 |
| Molecular Formula | C17H23NO4 |
| Molecular Weight | 305.3688 |
| SMILES | COc1ccc(cc1)C1CC(=O)CCN1C(=O)OC(C)(C)C |
| Synonyms | tert-Butyl 2-(4-methoxyphenyl)-4-oxopiperidine-1-carboxylate,
1823776-36-8,
MFCD28119028,
CS-0035992,
t-Butyl 2-(4-methoxyphenyl)-4-oxopiperidine-1-carboxylate,
Tert-Butyl 2-(4-Methoxyphenyl)-4-Oxopiperidine-1-Carboxylate(WX160149),
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| Complexity | 407 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 305.163g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 305.374g/mol |
| Monoisotopic Mass | 305.163g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 55.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
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Certificate of Analysis
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