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Home > Pyridines > 138599-65-2
138599-65-2 | Pyridine, 2-[4-(decyloxy)phenyl]-5-(octyloxy)-
CAS No: 138599-65-2 Catalog No: AG0018U5 MDL No:
Product Description
Catalog Number:
AG0018U5
Chemical Name:
Pyridine, 2-[4-(decyloxy)phenyl]-5-(octyloxy)-
CAS Number:
138599-65-2
Molecular Formula:
C29H45NO2
Molecular Weight:
439.6731
IUPAC Name:
2-(4-decoxyphenyl)-5-octoxypyridine
InChI:
InChI=1S/C29H45NO2/c1-3-5-7-9-11-12-14-15-23-31-27-19-17-26(18-20-27)29-22-21-28(25-30-29)32-24-16-13-10-8-6-4-2/h17-22,25H,3-16,23-24H2,1-2H3
InChI Key:
FBDHPQHWSPATDM-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCOc1ccc(cc1)c1ccc(cn1)OCCCCCCCC
Properties
Complexity:
408
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
439.345g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
439.684g/mol
Monoisotopic Mass:
439.345g/mol
Rotatable Bond Count:
19
Topological Polar Surface Area:
31.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
10.4
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