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Home > Boronic Acids > 1005397-65-8
1005397-65-8 | 1(2H)-Pyridinecarboxylic acid, 3,6-dihydro-2,6-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, 1,1-dimethylethyl ester
CAS No: 1005397-65-8 Catalog No: AG0002A3 MDL No:
Product Description
Catalog Number:
AG0002A3
Chemical Name:
1(2H)-Pyridinecarboxylic acid, 3,6-dihydro-2,6-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, 1,1-dimethylethyl ester
CAS Number:
1005397-65-8
Molecular Formula:
C18H32BNO4
Molecular Weight:
337.2620
IUPAC Name:
tert-butyl 2,6-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate
InChI:
InChI=1S/C18H32BNO4/c1-12-10-14(19-23-17(6,7)18(8,9)24-19)11-13(2)20(12)15(21)22-16(3,4)5/h10,12-13H,11H2,1-9H3
InChI Key:
AIOICASRSMDUDR-UHFFFAOYSA-N
SMILES:
O=C(N1C(C)CC(=CC1C)B1OC(C(O1)(C)C)(C)C)OC(C)(C)C
Properties
Complexity:
520
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:
2
Undefined Bond Stereocenter Count:
0
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