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112328-05-9 | Quinoline, 6-butyl-2-(4-methoxyphenyl)-
CAS No: 112328-05-9 Catalog No: AG007BFN MDL No:
Product Description
Catalog Number:
AG007BFN
Chemical Name:
Quinoline, 6-butyl-2-(4-methoxyphenyl)-
CAS Number:
112328-05-9
Molecular Formula:
C20H21NO
Molecular Weight:
291.3868
IUPAC Name:
6-butyl-2-(4-methoxyphenyl)quinoline
InChI:
InChI=1S/C20H21NO/c1-3-4-5-15-6-12-20-17(14-15)9-13-19(21-20)16-7-10-18(22-2)11-8-16/h6-14H,3-5H2,1-2H3
InChI Key:
UFSFBFONHZDKQT-UHFFFAOYSA-N
SMILES:
CCCCc1ccc2c(c1)ccc(n2)c1ccc(cc1)OC
Properties
Complexity:
324
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
291.162g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
291.394g/mol
Monoisotopic Mass:
291.162g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
22.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.7
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