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31009-12-8 | Ethanone, 1-[6,8-dimethyl-2-(4-methylphenyl)-4-quinolinyl]-
CAS No: 31009-12-8 Catalog No: AG0031X5 MDL No:
Product Description
Catalog Number:
AG0031X5
Chemical Name:
Ethanone, 1-[6,8-dimethyl-2-(4-methylphenyl)-4-quinolinyl]-
CAS Number:
31009-12-8
Molecular Formula:
C20H19NO
Molecular Weight:
289.3710
IUPAC Name:
1-[6,8-dimethyl-2-(4-methylphenyl)quinolin-4-yl]ethanone
InChI:
InChI=1S/C20H19NO/c1-12-5-7-16(8-6-12)19-11-17(15(4)22)18-10-13(2)9-14(3)20(18)21-19/h5-11H,1-4H3
InChI Key:
PHBKLAZFMXQSTI-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)c1cc(C(=O)C)c2c(n1)c(C)cc(c2)C
NSC Number:
142530
Properties
Complexity:
399
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
289.147g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
289.378g/mol
Monoisotopic Mass:
289.147g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
30A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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