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88559-39-1 | 1-Decanone, 1-(5-chloro-8-hydroxy-7-quinolinyl)-
CAS No: 88559-39-1 Catalog No: AG004E2V MDL No:
Product Description
Catalog Number:
AG004E2V
Chemical Name:
1-Decanone, 1-(5-chloro-8-hydroxy-7-quinolinyl)-
CAS Number:
88559-39-1
Molecular Formula:
C19H24ClNO2
Molecular Weight:
333.8524
IUPAC Name:
1-(5-chloro-8-hydroxyquinolin-7-yl)decan-1-one
InChI:
InChI=1S/C19H24ClNO2/c1-2-3-4-5-6-7-8-11-17(22)15-13-16(20)14-10-9-12-21-18(14)19(15)23/h9-10,12-13,23H,2-8,11H2,1H3
InChI Key:
ITKLPLLRICARGD-UHFFFAOYSA-N
SMILES:
CCCCCCCCCC(=O)c1cc(Cl)c2c(c1O)nccc2
Properties
Complexity:
363
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
333.15g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
333.856g/mol
Monoisotopic Mass:
333.15g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
50.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.8
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