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109093-22-3 | Methanone, (4-hydroxy-2-methyl-3-quinolinyl)phenyl-
CAS No: 109093-22-3 Catalog No: AG007TO4 MDL No:
Product Description
Catalog Number:
AG007TO4
Chemical Name:
Methanone, (4-hydroxy-2-methyl-3-quinolinyl)phenyl-
CAS Number:
109093-22-3
Molecular Formula:
C17H13NO2
Molecular Weight:
263.2906
IUPAC Name:
3-benzoyl-2-methyl-1H-quinolin-4-one
InChI:
InChI=1S/C17H13NO2/c1-11-15(16(19)12-7-3-2-4-8-12)17(20)13-9-5-6-10-14(13)18-11/h2-10H,1H3,(H,18,20)
InChI Key:
VJCFPJQNKDAMLD-UHFFFAOYSA-N
SMILES:
Cc1nc2ccccc2c(c1C(=O)c1ccccc1)O
Properties
Complexity:
446
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
263.095g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
263.296g/mol
Monoisotopic Mass:
263.095g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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