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Home > Boronic Acids > 1160790-50-0
1160790-50-0 | 4-Piperidinecarboxylic acid, 1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyrimidinyl]-, methyl ester
CAS No: 1160790-50-0 Catalog No: AG000BKQ MDL No:
Product Description
Catalog Number:
AG000BKQ
Chemical Name:
4-Piperidinecarboxylic acid, 1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyrimidinyl]-, methyl ester
CAS Number:
1160790-50-0
Molecular Formula:
C17H26BN3O4
Molecular Weight:
347.2170
IUPAC Name:
methyl 1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-yl]piperidine-4-carboxylate
InChI:
InChI=1S/C17H26BN3O4/c1-16(2)17(3,4)25-18(24-16)13-10-19-15(20-11-13)21-8-6-12(7-9-21)14(22)23-5/h10-12H,6-9H2,1-5H3
InChI Key:
UEKXCFIPAGCLQJ-UHFFFAOYSA-N
SMILES:
COC(=O)C1CCN(CC1)c1ncc(cn1)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
470
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
347.202g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
347.222g/mol
Monoisotopic Mass:
347.202g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
73.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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