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Home > Boronic Acids > 1314140-36-7
1314140-36-7 | 1-Methyl-2-oxopyridine-3-boronic acid, pinacol ester
CAS No: 1314140-36-7 Catalog No: AG009WV5 MDL No:MFCD13182002
Product Description
Catalog Number:
AG009WV5
Chemical Name:
1-Methyl-2-oxopyridine-3-boronic acid, pinacol ester
CAS Number:
1314140-36-7
Molecular Formula:
C12H18BNO3
Molecular Weight:
235.0872
MDL Number:
MFCD13182002
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
SMILES:
Cn1cccc(c1=O)B1OC(C(O1)(C)C)(C)C
Properties
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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