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332150-27-3 | 4-(4-hydroxy-6-methoxy-2-methylquinolin-3-yl)butan-2-one
CAS No: 332150-27-3 Catalog No: AG00C5VM MDL No:MFCD01143178
Product Description
Catalog Number:
AG00C5VM
Chemical Name:
4-(4-hydroxy-6-methoxy-2-methylquinolin-3-yl)butan-2-one
CAS Number:
332150-27-3
Molecular Formula:
C15H17NO3
Molecular Weight:
259.3004
MDL Number:
MFCD01143178
IUPAC Name:
6-methoxy-2-methyl-3-(3-oxobutyl)-1H-quinolin-4-one
InChI:
InChI=1S/C15H17NO3/c1-9(17)4-6-12-10(2)16-14-7-5-11(19-3)8-13(14)15(12)18/h5,7-8H,4,6H2,1-3H3,(H,16,18)
InChI Key:
WPUANESYLXLGLX-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)c(O)c(c(n2)C)CCC(=O)C
Properties
Complexity:
414
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.121g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
259.305g/mol
Monoisotopic Mass:
259.121g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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