| CAS Number | 1342385-03-8 |
| Catalog Number | AG009W96(AGN-PC-0WR296) |
| Chemical Name | 6-Hydroxy-nicotinic acid tert-butyl ester |
| IUPAC Name | tert-butyl 6-oxo-1H-pyridine-3-carboxylate |
| InChI | InChI=1S/C10H13NO3/c1-10(2,3)14-9(13)7-4-5-8(12)11-6-7/h4-6H,1-3H3,(H,11,12) |
| InChI Key | ZQMWSXMQDAFZSO-UHFFFAOYSA-N |
| MDL Number | MFCD28968051 |
| Molecular Formula | C10H13NO3 |
| Molecular Weight | 195.2151 |
| SMILES | CC(OC(C1=CNC(=O)C=C1)=O)(C)C |
| Synonyms | 1342385-03-8,
6-Hydroxy-nicotinic acid tert-butyl ester,
tert-Butyl 6-hydroxynicotinate,
ZINC82671033,
AKOS013210823,
AKOS027427401,
tert-butyl 6-oxo-1,6-dihydropyridine-3-carboxylate,
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| Complexity | 321 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 195.09g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 195.218g/mol |
| Monoisotopic Mass | 195.09g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 55.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number