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Home > Boronic Acids > 1227068-65-6
1227068-65-6 | N-Methyl-2-pyridione-4-boronic ester
CAS No: 1227068-65-6 Catalog No: AG009YWX MDL No:MFCD26400817
Product Description
Catalog Number:
AG009YWX
Chemical Name:
N-Methyl-2-pyridione-4-boronic ester
CAS Number:
1227068-65-6
Molecular Formula:
C12H20BNO3
Molecular Weight:
237.1031
MDL Number:
MFCD26400817
IUPAC Name:
1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydropyridin-6-one
InChI:
InChI=1S/C12H20BNO3/c1-11(2)12(3,4)17-13(16-11)9-6-7-14(5)10(15)8-9/h8H,6-7H2,1-5H3
InChI Key:
RLIXDLNCOUHPFA-UHFFFAOYSA-N
SMILES:
O=C1C=C(CCN1C)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
360
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.154g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
237.106g/mol
Monoisotopic Mass:
237.154g/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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