| CAS Number | 1820665-48-2 |
| Catalog Number | AG00I0Q3(AGN-PC-0WR6W9) |
| Chemical Name | tert-Butyl 2-[4-(methoxycarbonyl)phenyl]pyridine-4-carboxylate |
| IUPAC Name | tert-butyl 2-(4-methoxycarbonylphenyl)pyridine-4-carboxylate |
| InChI | InChI=1S/C18H19NO4/c1-18(2,3)23-17(21)14-9-10-19-15(11-14)12-5-7-13(8-6-12)16(20)22-4/h5-11H,1-4H3 |
| InChI Key | NLLRSUQFHZDZOD-UHFFFAOYSA-N |
| MDL Number | MFCD26523350 |
| Molecular Formula | C18H19NO4 |
| Molecular Weight | 313.3478 |
| SMILES | COC(=O)c1ccc(cc1)c1nccc(c1)C(=O)OC(C)(C)C |
| Synonyms | tert-Butyl 2-[4-(methoxycarbonyl)phenyl]pyridine-4-carboxylate,
1820665-48-2,
ZINC95495532,
Y2987,
C18H19NO4,
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| Complexity | 421 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 313.131g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 313.353g/mol |
| Monoisotopic Mass | 313.131g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 65.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
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Certificate of Analysis
Lot Number