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72914-17-1 | 4-(Oxan-4-yl)-2-[4-(oxan-4-yl)pyridin-2-yl]pyridine
CAS No: 72914-17-1 Catalog No: AG01EX7Q MDL No:
Product Description
Catalog Number:
AG01EX7Q
Chemical Name:
4-(Oxan-4-yl)-2-[4-(oxan-4-yl)pyridin-2-yl]pyridine
CAS Number:
72914-17-1
Molecular Formula:
C20H24N2O2
Molecular Weight:
324.4168
IUPAC Name:
4-(oxan-4-yl)-2-[4-(oxan-4-yl)pyridin-2-yl]pyridine
InChI:
InChI=1S/C20H24N2O2/c1-7-21-19(13-17(1)15-3-9-23-10-4-15)20-14-18(2-8-22-20)16-5-11-24-12-6-16/h1-2,7-8,13-16H,3-6,9-12H2
InChI Key:
MKZHFQXHTCUNFZ-UHFFFAOYSA-N
SMILES:
O1CCC(CC1)c1ccnc(c1)c1nccc(c1)C1CCOCC1
Properties
Complexity:
344
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
324.184g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
324.424g/mol
Monoisotopic Mass:
324.184g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
44.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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