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93206-95-2 | Quinoline, 2-[2-[4-(octyloxy)phenyl]ethenyl]-
CAS No: 93206-95-2 Catalog No: AG0065B8 MDL No:
Product Description
Catalog Number:
AG0065B8
Chemical Name:
Quinoline, 2-[2-[4-(octyloxy)phenyl]ethenyl]-
CAS Number:
93206-95-2
Molecular Formula:
C25H29NO
Molecular Weight:
359.5039
IUPAC Name:
2-[2-(4-octoxyphenyl)ethenyl]quinoline
InChI:
InChI=1S/C25H29NO/c1-2-3-4-5-6-9-20-27-24-18-13-21(14-19-24)12-16-23-17-15-22-10-7-8-11-25(22)26-23/h7-8,10-19H,2-6,9,20H2,1H3
InChI Key:
KBWNBVGJMSNVAM-UHFFFAOYSA-N
SMILES:
CCCCCCCCOc1ccc(cc1)C=Cc1ccc2c(n1)cccc2
Properties
Complexity:
413
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
359.225g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
359.513g/mol
Monoisotopic Mass:
359.225g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
22.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
7.9
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