| CAS Number | 1314140-36-7 |
| Catalog Number | AG009WV5(AGN-PC-0WA4OO) |
| Chemical Name | 1-Methyl-2-oxopyridine-3-boronic acid, pinacol ester |
| IUPAC Name | 1-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one |
| InChI | InChI=1S/C12H18BNO3/c1-11(2)12(3,4)17-13(16-11)9-7-6-8-14(5)10(9)15/h6-8H,1-5H3 |
| InChI Key | PNRZXUANEKDDHK-UHFFFAOYSA-N |
| MDL Number | MFCD13182002 |
| Molecular Formula | C12H18BNO3 |
| Molecular Weight | 235.0872 |
| SMILES | Cn1cccc(c1=O)B1OC(C(O1)(C)C)(C)C |
| Synonyms | 1314140-36-7,
1-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2(1H)-one,
1-Methyl-2-oxopyridine-3-boronic acid, pinacol ester,
1-METHYL-2-OXO-1,2-DIHYDROPYRIDIN-3-YLBORONIC ACID PINACOL ESTER,
KM3799,
MFCD13182002,
ZINC169988752,
MB12564,
DA-12557,
CS-0080860,
FT-0769103,
1-Methyl-2-oxopyridine-3-boronic acid pinacol ester,
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| Complexity | 396 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 235.138g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 235.09g/mol |
| Monoisotopic Mass | 235.138g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 38.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number