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89409-16-5 | Methanone, phenyl[1,5,6,7-tetrahydro-1-(4-methylphenyl)-8-quinolinyl]-
CAS No: 89409-16-5 Catalog No: AG003VS5 MDL No:
Product Description
Catalog Number:
AG003VS5
Chemical Name:
Methanone, phenyl[1,5,6,7-tetrahydro-1-(4-methylphenyl)-8-quinolinyl]-
CAS Number:
89409-16-5
Molecular Formula:
C23H21NO
Molecular Weight:
327.4189
IUPAC Name:
[1-(4-methylphenyl)-6,7-dihydro-5H-quinolin-8-yl]-phenylmethanone
InChI:
InChI=1S/C23H21NO/c1-17-12-14-20(15-13-17)24-16-6-10-18-9-5-11-21(22(18)24)23(25)19-7-3-2-4-8-19/h2-4,6-8,10,12-16H,5,9,11H2,1H3
InChI Key:
TUIHBEMUIKIXCG-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)n1cccc2c1=C(CCC2)C(=O)c1ccccc1
Properties
Complexity:
598
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
327.162g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
327.427g/mol
Monoisotopic Mass:
327.162g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
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