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Home > Quinoline > 123631-58-3
123631-58-3 | 4-Quinolinol, 3-methyl-2-(6-phenylhexyl)-
CAS No: 123631-58-3 Catalog No: AG000KW6 MDL No:
Product Description
Catalog Number:
AG000KW6
Chemical Name:
4-Quinolinol, 3-methyl-2-(6-phenylhexyl)-
CAS Number:
123631-58-3
Molecular Formula:
C22H25NO
Molecular Weight:
319.4400
IUPAC Name:
3-methyl-2-(6-phenylhexyl)-1H-quinolin-4-one
InChI:
InChI=1S/C22H25NO/c1-17-20(23-21-16-10-9-14-19(21)22(17)24)15-8-3-2-5-11-18-12-6-4-7-13-18/h4,6-7,9-10,12-14,16H,2-3,5,8,11,15H2,1H3,(H,23,24)
InChI Key:
IGIOZUQTOROUQB-UHFFFAOYSA-N
SMILES:
Oc1c(C)c(CCCCCCc2ccccc2)nc2c1cccc2
Properties
Complexity:
447
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
319.194g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
319.448g/mol
Monoisotopic Mass:
319.194g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.1
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