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113193-73-0 | 2,4-Pentanedione, 3-[(1,2-dihydro-6-methyl-2-oxo-4-quinolinyl)methyl]-
CAS No: 113193-73-0 Catalog No: AG007T2G MDL No:
Product Description
Catalog Number:
AG007T2G
Chemical Name:
2,4-Pentanedione, 3-[(1,2-dihydro-6-methyl-2-oxo-4-quinolinyl)methyl]-
CAS Number:
113193-73-0
Molecular Formula:
C16H17NO3
Molecular Weight:
271.3111
IUPAC Name:
3-[(6-methyl-2-oxo-1H-quinolin-4-yl)methyl]pentane-2,4-dione
InChI:
InChI=1S/C16H17NO3/c1-9-4-5-15-14(6-9)12(8-16(20)17-15)7-13(10(2)18)11(3)19/h4-6,8,13H,7H2,1-3H3,(H,17,20)
InChI Key:
WGXWOIQBCMFKDQ-UHFFFAOYSA-N
SMILES:
CC(=O)C(C(=O)C)Cc1cc(=O)[nH]c2c1cc(C)cc2
Properties
Complexity:
452
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.121g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
271.316g/mol
Monoisotopic Mass:
271.121g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
63.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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