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165687-25-2 | Ethanone, 1-(2-methyl-1(2H)-quinolinyl)-
CAS No: 165687-25-2 Catalog No: AG001WB2 MDL No:
Product Description
Catalog Number:
AG001WB2
Chemical Name:
Ethanone, 1-(2-methyl-1(2H)-quinolinyl)-
CAS Number:
165687-25-2
Molecular Formula:
C12H13NO
Molecular Weight:
187.2377
IUPAC Name:
1-(2-methyl-2H-quinolin-1-yl)ethanone
InChI:
InChI=1S/C12H13NO/c1-9-7-8-11-5-3-4-6-12(11)13(9)10(2)14/h3-9H,1-2H3
InChI Key:
BGIGIYZTNYGVMB-UHFFFAOYSA-N
SMILES:
CC(=O)N1C(C)C=Cc2c1cccc2
Properties
Complexity:
259
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:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
187.242g/mol
Monoisotopic Mass:
187.1g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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