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Home > Quinoline > 139710-76-2
139710-76-2 | 4(1H)-Quinolinone, 2-ethyl-1-methyl-
CAS No: 139710-76-2 Catalog No: AG001BJW MDL No:
Product Description
Catalog Number:
AG001BJW
Chemical Name:
4(1H)-Quinolinone, 2-ethyl-1-methyl-
CAS Number:
139710-76-2
Molecular Formula:
C12H13NO
Molecular Weight:
187.2377
IUPAC Name:
2-ethyl-1-methylquinolin-4-one
InChI:
InChI=1S/C12H13NO/c1-3-9-8-12(14)10-6-4-5-7-11(10)13(9)2/h4-8H,3H2,1-2H3
InChI Key:
LOBSMKJJIZPJJE-UHFFFAOYSA-N
SMILES:
CCc1cc(=O)c2c(n1C)cccc2
Properties
Complexity:
270
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.1g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
187.242g/mol
Monoisotopic Mass:
187.1g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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