| CAS Number | 71233-30-2 |
| Catalog Number | AG01DWMB |
| Chemical Name | 1-tert-Butyl 4-methyl 1,2,3,4-tetrahydropyridine-1,4-dicarboxylate |
| IUPAC Name | 1-O-tert-butyl 4-O-methyl 3,4-dihydro-2H-pyridine-1,4-dicarboxylate |
| InChI | InChI=1S/C12H19NO4/c1-12(2,3)17-11(15)13-7-5-9(6-8-13)10(14)16-4/h5,7,9H,6,8H2,1-4H3 |
| InChI Key | PZDGOAWOSISXLN-UHFFFAOYSA-N |
| MDL Number | MFCD24471924 |
| Molecular Formula | C12H19NO4 |
| Molecular Weight | 241.2836 |
| SMILES | N1(CCC(C=C1)C(=O)OC)C(=O)OC(C)(C)C |
| Synonyms | 1-tert-butyl 4-methyl 1,2,3,4-tetrahydropyridine-1,4-dicarboxylate,
71233-30-2,
|
| Complexity | 330 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 241.131g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 241.287g/mol |
| Monoisotopic Mass | 241.131g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 55.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
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Certificate of Analysis
Lot Number