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3311-56-6 | Cyclohexanone, 2-(2-quinolinyl)-
CAS No: 3311-56-6 Catalog No: AG007HAZ MDL No:
Product Description
Catalog Number:
AG007HAZ
Chemical Name:
Cyclohexanone, 2-(2-quinolinyl)-
CAS Number:
3311-56-6
Molecular Formula:
C15H15NO
Molecular Weight:
225.2857
IUPAC Name:
2-quinolin-2-ylcyclohexan-1-one
InChI:
InChI=1S/C15H15NO/c17-15-8-4-2-6-12(15)14-10-9-11-5-1-3-7-13(11)16-14/h1,3,5,7,9-10,12H,2,4,6,8H2
InChI Key:
GMZXYECITKKOIR-UHFFFAOYSA-N
SMILES:
O=C1CCCCC1c1ccc2c(n1)cccc2
Properties
Complexity:
289
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.115g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
225.291g/mol
Monoisotopic Mass:
225.115g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
30A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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