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Home > Quinoline > 1155601-58-3
1155601-58-3 | 2-ethyl-8-methyl-1,4-dihydroquinolin-4-one
CAS No: 1155601-58-3 Catalog No: AG01C8FQ MDL No:MFCD12114889
Product Description
Catalog Number:
AG01C8FQ
Chemical Name:
2-ethyl-8-methyl-1,4-dihydroquinolin-4-one
CAS Number:
1155601-58-3
Molecular Formula:
C12H13NO
Molecular Weight:
187.2377
MDL Number:
MFCD12114889
IUPAC Name:
2-ethyl-8-methyl-1H-quinolin-4-one
InChI:
InChI=1S/C12H13NO/c1-3-9-7-11(14)10-6-4-5-8(2)12(10)13-9/h4-7H,3H2,1-2H3,(H,13,14)
InChI Key:
BDSPFCKNLFKGFW-UHFFFAOYSA-N
SMILES:
CCc1cc(=O)c2c([nH]1)c(C)ccc2
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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