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Home > Boronic Acids > 1228962-22-8
1228962-22-8 | 1(2H)-Pyridinecarboxylic acid, 3,6-dihydro-3,3-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, 1,1-dimethylethyl ester
CAS No: 1228962-22-8 Catalog No: AG000JQ4 MDL No:MFCD28388345
Product Description
Catalog Number:
AG000JQ4
Chemical Name:
1(2H)-Pyridinecarboxylic acid, 3,6-dihydro-3,3-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, 1,1-dimethylethyl ester
CAS Number:
1228962-22-8
Molecular Formula:
C18H32BNO4
Molecular Weight:
337.2620
MDL Number:
MFCD28388345
IUPAC Name:
tert-butyl 3,3-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,6-dihydropyridine-1-carboxylate
InChI:
InChI=1S/C18H32BNO4/c1-15(2,3)22-14(21)20-11-10-13(16(4,5)12-20)19-23-17(6,7)18(8,9)24-19/h10H,11-12H2,1-9H3
InChI Key:
UEOHPSCEKLAWGB-UHFFFAOYSA-N
SMILES:
O=C(N1CC=C(C(C1)(C)C)B1OC(C(O1)(C)C)(C)C)OC(C)(C)C
Properties
Complexity:
530
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
337.242g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
337.267g/mol
Monoisotopic Mass:
337.242g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
48A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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