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2598-31-4 | Ethanone, 1-(8-hydroxy-5-quinolinyl)-
CAS No: 2598-31-4 Catalog No: AG002RA4 MDL No:MFCD00086061
Product Description
Catalog Number:
AG002RA4
Chemical Name:
Ethanone, 1-(8-hydroxy-5-quinolinyl)-
CAS Number:
2598-31-4
Molecular Formula:
C11H9NO2
Molecular Weight:
187.1947
MDL Number:
MFCD00086061
IUPAC Name:
1-(8-hydroxyquinolin-5-yl)ethanone
InChI:
InChI=1S/C11H9NO2/c1-7(13)8-4-5-10(14)11-9(8)3-2-6-12-11/h2-6,14H,1H3
InChI Key:
HZTCLDNADGMACV-UHFFFAOYSA-N
SMILES:
CC(=O)c1ccc(c2c1cccn2)O
UNII:
2KE2DMA89S
Properties
Complexity:
229
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.063g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
187.198g/mol
Monoisotopic Mass:
187.063g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
50.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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