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126365-17-1 | 4(1H)-Quinolinone, 2-(1-ethylpropyl)-1-methyl-
CAS No: 126365-17-1 Catalog No: AG000SQ3 MDL No:
Product Description
Catalog Number:
AG000SQ3
Chemical Name:
4(1H)-Quinolinone, 2-(1-ethylpropyl)-1-methyl-
CAS Number:
126365-17-1
Molecular Formula:
C15H19NO
Molecular Weight:
229.3175
IUPAC Name:
1-methyl-2-pentan-3-ylquinolin-4-one
InChI:
InChI=1S/C15H19NO/c1-4-11(5-2)14-10-15(17)12-8-6-7-9-13(12)16(14)3/h6-11H,4-5H2,1-3H3
InChI Key:
OWPVBMRQCFDSPY-UHFFFAOYSA-N
SMILES:
CCC(c1cc(=O)c2c(n1C)cccc2)CC
Properties
Complexity:
317
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.147g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
229.323g/mol
Monoisotopic Mass:
229.147g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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