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Home > Pyridines > 100907-44-6
100907-44-6 | Pyridine, 2-(4-ethylphenyl)-5-octyl-
CAS No: 100907-44-6 Catalog No: AG00036B MDL No:
Product Description
Catalog Number:
AG00036B
Chemical Name:
Pyridine, 2-(4-ethylphenyl)-5-octyl-
CAS Number:
100907-44-6
Molecular Formula:
C21H29N
Molecular Weight:
295.4617
IUPAC Name:
2-(4-ethylphenyl)-5-octylpyridine
InChI:
InChI=1S/C21H29N/c1-3-5-6-7-8-9-10-19-13-16-21(22-17-19)20-14-11-18(4-2)12-15-20/h11-17H,3-10H2,1-2H3
InChI Key:
IWVMFXJEBRPQQL-UHFFFAOYSA-N
SMILES:
CCCCCCCCc1ccc(nc1)c1ccc(cc1)CC
Properties
Complexity:
267
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
295.23g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
295.47g/mol
Monoisotopic Mass:
295.23g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
12.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.4
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