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Home > Boronic Acids > 1227068-67-8
1227068-67-8 | Ethanone, 1-[3,6-dihydro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1(2H)-pyridinyl]-
CAS No: 1227068-67-8 Catalog No: AG000J0L MDL No:MFCD18427628
Product Description
Catalog Number:
AG000J0L
Chemical Name:
Ethanone, 1-[3,6-dihydro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1(2H)-pyridinyl]-
CAS Number:
1227068-67-8
Molecular Formula:
C13H22BNO3
Molecular Weight:
251.1297
MDL Number:
MFCD18427628
IUPAC Name:
1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
InChI:
InChI=1S/C13H22BNO3/c1-10(16)15-8-6-11(7-9-15)14-17-12(2,3)13(4,5)18-14/h6H,7-9H2,1-5H3
InChI Key:
RENBVEOCTVQABH-UHFFFAOYSA-N
SMILES:
CC(=O)N1CCC(=CC1)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
374
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.169g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
251.133g/mol
Monoisotopic Mass:
251.169g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
38.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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