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139594-99-3 | Phenol, 4-(6-octyl-2-quinolinyl)-
CAS No: 139594-99-3 Catalog No: AG001BC1 MDL No:
Product Description
Catalog Number:
AG001BC1
Chemical Name:
Phenol, 4-(6-octyl-2-quinolinyl)-
CAS Number:
139594-99-3
Molecular Formula:
C23H27NO
Molecular Weight:
333.4666
IUPAC Name:
4-(6-octylquinolin-2-yl)phenol
InChI:
InChI=1S/C23H27NO/c1-2-3-4-5-6-7-8-18-9-15-23-20(17-18)12-16-22(24-23)19-10-13-21(25)14-11-19/h9-17,25H,2-8H2,1H3
InChI Key:
LQWJLMJFJXWLPS-UHFFFAOYSA-N
SMILES:
CCCCCCCCc1ccc2c(c1)ccc(n2)c1ccc(cc1)O
Properties
Complexity:
363
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
333.209g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
333.475g/mol
Monoisotopic Mass:
333.209g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
33.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.5
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