| CAS Number | 107977-28-6 |
| Catalog Number | AG01C3VL(AGN-PC-0NWSJ2) |
| Chemical Name | tert-butyl 4-methylpyridine-3-carboxylate |
| IUPAC Name | tert-butyl 4-methylpyridine-3-carboxylate |
| InChI | InChI=1S/C11H15NO2/c1-8-5-6-12-7-9(8)10(13)14-11(2,3)4/h5-7H,1-4H3 |
| InChI Key | KOEUYOLNKBSCJM-UHFFFAOYSA-N |
| MDL Number | MFCD18206160 |
| Molecular Formula | C11H15NO2 |
| Molecular Weight | 193.2423 |
| SMILES | CC1=CC=NC=C1C(=O)OC(C)(C)C |
| Synonyms | tert-Butyl 4-methylnicotinate,
107977-28-6,
tert-butyl 4-methylpyridine-3-carboxylate,
ZINC238476356,
|
| Complexity | 208 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 193.11g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 193.246g/mol |
| Monoisotopic Mass | 193.11g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 39.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
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Certificate of Analysis
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