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37126-99-1

37126-99-1 | 2-Butanone,4-(4-hydroxy-2-methyl-3-quinolinyl)-

CAS No: 37126-99-1 Catalog No: AG007ANO MDL No:MFCD01143176

Product Description

Catalog Number:
AG007ANO
Chemical Name:
2-Butanone,4-(4-hydroxy-2-methyl-3-quinolinyl)-
CAS Number:
37126-99-1
Molecular Formula:
C14H15NO2
Molecular Weight:
229.2744
MDL Number:
MFCD01143176
IUPAC Name:
2-methyl-3-(3-oxobutyl)-1H-quinolin-4-one
InChI:
InChI=1S/C14H15NO2/c1-9(16)7-8-11-10(2)15-13-6-4-3-5-12(13)14(11)17/h3-6H,7-8H2,1-2H3,(H,15,17)
InChI Key:
JJTBQQQQMUTHSW-UHFFFAOYSA-N
SMILES:
CC(=O)CCc1c(C)nc2c(c1O)cccc2

Properties

Complexity:
370  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.11g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
229.279g/mol
Monoisotopic Mass:
229.11g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
46.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  

Literature

Title Journal
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501

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