4-hydroxy-4-[4-(propan-2-yl)phenyl]cyclohexan-1-one
  -molcms-05212610342D

 17 18  0  0  0  0  0  0  0  0999 V2000
   -1.7321    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5981    1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7321    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8660   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3420   -0.9397    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9848    0.1736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6276   -0.5924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6124   -0.4187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9544    0.5209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9392    0.6946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2813    1.6343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5820   -0.0715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3116    1.2870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3268    1.1133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8660    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 10 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15  7  1  0  0  0  0
  5 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17  1  1  0  0  0  0
M  END
>  <ProductName>
4-hydroxy-4-[4-(propan-2-yl)phenyl]cyclohexan-1-one

>  <CASNumber>
1423032-61-4

>  <MolecularFormula>
C15H20O2

>  <MDLNo>


>  <MolWt>
232.32

>  <BoilingPoint>


>  <MeltingPoint>


>  <MolFile>


>  <Smiles>
C1(=O)CCC(O)(C2=CC=C(C(C)C)C=C2)CC1

$$$$