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109072-25-5 | 2-ethyl-1,4-dihydroquinolin-4-one
CAS No: 109072-25-5 Catalog No: AG01A24Z MDL No:MFCD12114553
Product Description
Catalog Number:
AG01A24Z
Chemical Name:
2-ethyl-1,4-dihydroquinolin-4-one
CAS Number:
109072-25-5
Molecular Formula:
C11H11NO
Molecular Weight:
173.2111
MDL Number:
MFCD12114553
IUPAC Name:
2-ethyl-1H-quinolin-4-one
InChI:
InChI=1S/C11H11NO/c1-2-8-7-11(13)9-5-3-4-6-10(9)12-8/h3-7H,2H2,1H3,(H,12,13)
InChI Key:
YBKUKKHOCTXYGB-UHFFFAOYSA-N
SMILES:
CCc1cc(=O)c2c([nH]1)cccc2
Properties
Complexity:
245
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
173.084g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
173.215g/mol
Monoisotopic Mass:
173.084g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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