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84666-27-3 | 4-Quinolinemethanol, 6-methoxy-2-(4-methylphenyl)-
CAS No: 84666-27-3 Catalog No: AG0050F0 MDL No:
Product Description
Catalog Number:
AG0050F0
Chemical Name:
4-Quinolinemethanol, 6-methoxy-2-(4-methylphenyl)-
CAS Number:
84666-27-3
Molecular Formula:
C18H17NO2
Molecular Weight:
279.3331
IUPAC Name:
[6-methoxy-2-(4-methylphenyl)quinolin-4-yl]methanol
InChI:
InChI=1S/C18H17NO2/c1-12-3-5-13(6-4-12)18-9-14(11-20)16-10-15(21-2)7-8-17(16)19-18/h3-10,20H,11H2,1-2H3
InChI Key:
TYOCDPLSOOIQRJ-UHFFFAOYSA-N
SMILES:
OCc1cc(nc2c1cc(OC)cc2)c1ccc(cc1)C
Properties
Complexity:
327
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.126g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
279.339g/mol
Monoisotopic Mass:
279.126g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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