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Home > Boronic Acids > 1268816-61-0
1268816-61-0 | 1(2H)-Pyridinecarboxylic acid, 3,6-dihydro-3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, 1,1-dimethylethyl ester
CAS No: 1268816-61-0 Catalog No: AG000TF7 MDL No:MFCD22380659
Product Description
Catalog Number:
AG000TF7
Chemical Name:
1(2H)-Pyridinecarboxylic acid, 3,6-dihydro-3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, 1,1-dimethylethyl ester
CAS Number:
1268816-61-0
Molecular Formula:
C17H30BNO4
Molecular Weight:
323.2354
MDL Number:
MFCD22380659
IUPAC Name:
tert-butyl 3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate
InChI:
InChI=1S/C17H30BNO4/c1-12-11-19(14(20)21-15(2,3)4)10-9-13(12)18-22-16(5,6)17(7,8)23-18/h9,12H,10-11H2,1-8H3
InChI Key:
QJCSWGSRGIUZJP-UHFFFAOYSA-N
SMILES:
O=C(N1CC=C(C(C1)C)B1OC(C(O1)(C)C)(C)C)OC(C)(C)C
Properties
Complexity:
491
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
323.227g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
323.24g/mol
Monoisotopic Mass:
323.227g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
48A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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