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Home > Quinoline > 123637-44-5
123637-44-5 | 2-ethyl-6-methyl-1,4-dihydroquinolin-4-one
CAS No: 123637-44-5 Catalog No: AG01C99Y MDL No:MFCD12114626
Product Description
Catalog Number:
AG01C99Y
Chemical Name:
2-ethyl-6-methyl-1,4-dihydroquinolin-4-one
CAS Number:
123637-44-5
Molecular Formula:
C12H13NO
Molecular Weight:
187.2377
MDL Number:
MFCD12114626
IUPAC Name:
2-ethyl-6-methyl-1H-quinolin-4-one
InChI:
InChI=1S/C12H13NO/c1-3-9-7-12(14)10-6-8(2)4-5-11(10)13-9/h4-7H,3H2,1-2H3,(H,13,14)
InChI Key:
DYVMOBINABFKCI-UHFFFAOYSA-N
SMILES:
CCc1cc(=O)c2c([nH]1)ccc(c2)C
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:
1
Isotope Atom Count:
0
Molecular Weight:
187.242g/mol
Monoisotopic Mass:
187.1g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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