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Home > Boronic Acids > 1220423-76-6
1220423-76-6 | 3-Pyridinecarboxylic acid, 2,6-dimethoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, methyl ester
CAS No: 1220423-76-6 Catalog No: AG0016OB MDL No:MFCD18382857
Product Description
Catalog Number:
AG0016OB
Chemical Name:
3-Pyridinecarboxylic acid, 2,6-dimethoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, methyl ester
CAS Number:
1220423-76-6
Molecular Formula:
C15H22BNO6
Molecular Weight:
323.1493
MDL Number:
MFCD18382857
IUPAC Name:
methyl 2,6-dimethoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-3-carboxylate
InChI:
InChI=1S/C15H22BNO6/c1-14(2)15(3,4)23-16(22-14)10-8-9(13(18)21-7)11(19-5)17-12(10)20-6/h8H,1-7H3
InChI Key:
LZPSPDLQYQDWIH-UHFFFAOYSA-N
SMILES:
COc1nc(OC)c(cc1B1OC(C(O1)(C)C)(C)C)C(=O)OC
Properties
Complexity:
428
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
323.154g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
323.152g/mol
Monoisotopic Mass:
323.154g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
76.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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