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Home > Boronic Acids > 1025718-88-0
1025718-88-0 | 2-Pyridinecarboxylic acid, 4,6-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, methyl ester
CAS No: 1025718-88-0 Catalog No: AG0007SJ MDL No:
Product Description
Catalog Number:
AG0007SJ
Chemical Name:
2-Pyridinecarboxylic acid, 4,6-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, methyl ester
CAS Number:
1025718-88-0
Molecular Formula:
C19H29B2NO6
Molecular Weight:
389.0587
IUPAC Name:
methyl 4,6-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carboxylate
InChI:
InChI=1S/C19H29B2NO6/c1-16(2)17(3,4)26-20(25-16)12-10-13(15(23)24-9)22-14(11-12)21-27-18(5,6)19(7,8)28-21/h10-11H,1-9H3
InChI Key:
WMXVJSBGAPCMKJ-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(cc(n1)B1OC(C(O1)(C)C)(C)C)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
592
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
389.218g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
389.062g/mol
Monoisotopic Mass:
389.218g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
76.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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