
 (R)-Ketoprofen

 33 34  0  0  0  0  0  0  0  0999 V2000
    0.8922    1.5053   -0.4668 C   0  0  0  0  0
    1.9540    0.4239   -0.2453 C   0  0  0  0  0
    2.9150    0.3292   -1.4203 C   0  0  0  0  0
    3.7349    1.4094   -1.7814 C   0  0  0  0  0
    4.6643    1.2836   -2.8150 C   0  0  0  0  0
    4.7791    0.0818   -3.5133 C   0  0  0  0  0
    3.9346   -0.9893   -3.2034 C   0  0  0  0  0
    3.0230   -0.8704   -2.1448 C   0  0  0  0  0
    4.0007   -2.2802   -3.9399 C   0  0  0  0  0
    3.7899   -3.3239   -3.3256 O   0  0  0  0  0
    4.2945   -2.3441   -5.3995 C   0  0  0  0  0
    4.8565   -3.5190   -5.9171 C   0  0  0  0  0
    5.1272   -3.6269   -7.2830 C   0  0  0  0  0
    4.8363   -2.5650   -8.1381 C   0  0  0  0  0
    4.2604   -1.4001   -7.6329 C   0  0  0  0  0
    3.9768   -1.2937   -6.2696 C   0  0  0  0  0
    2.6838    0.6517    1.0682 C   0  0  0  0  0
    2.5436    1.5936    1.8326 O   0  0  0  0  0
    3.5474   -0.3391    1.3719 O   0  0  0  0  0
    0.1703    1.5109    0.3583 H   0  0  0  0  0
    0.3399    1.3315   -1.3968 H   0  0  0  0  0
    1.3307    2.5087   -0.5179 H   0  0  0  0  0
    1.4160   -0.5266   -0.1317 H   0  0  0  0  0
    3.6753    2.3537   -1.2422 H   0  0  0  0  0
    5.3107    2.1211   -3.0662 H   0  0  0  0  0
    5.5374   -0.0064   -4.2867 H   0  0  0  0  0
    2.4028   -1.7248   -1.8834 H   0  0  0  0  0
    5.0791   -4.3564   -5.2582 H   0  0  0  0  0
    5.5586   -4.5428   -7.6799 H   0  0  0  0  0
    5.0454   -2.6504   -9.2017 H   0  0  0  0  0
    4.0208   -0.5784   -8.3030 H   0  0  0  0  0
    3.4918   -0.3904   -5.9103 H   0  0  0  0  0
    3.9544   -0.0594    2.2179 H   0  0  0  0  0
  1  2  1  0  0  0
  1 20  1  0  0  0
  1 21  1  0  0  0
  1 22  1  0  0  0
  2 17  1  0  0  0
  2  3  1  0  0  0
  2 23  1  0  0  0
  3  4  2  0  0  0
  3  8  1  0  0  0
  4  5  1  0  0  0
  4 24  1  0  0  0
  5  6  2  0  0  0
  5 25  1  0  0  0
  6  7  1  0  0  0
  6 26  1  0  0  0
  7  8  2  0  0  0
  7  9  1  0  0  0
  8 27  1  0  0  0
  9 11  1  0  0  0
  9 10  2  0  0  0
 11 12  2  0  0  0
 11 16  1  0  0  0
 12 13  1  0  0  0
 12 28  1  0  0  0
 13 14  2  0  0  0
 13 29  1  0  0  0
 14 15  1  0  0  0
 14 30  1  0  0  0
 15 16  2  0  0  0
 15 31  1  0  0  0
 16 32  1  0  0  0
 17 19  1  0  0  0
 17 18  2  0  0  0
 19 33  1  0  0  0
M  END

>  <Chemical Name>
(R)-Ketoprofen

>  <PubChem CID>
180540

>  <Formula>
C16H14O3

>  <Molecular Weight>
254.285000

>  <IUPAC Name>
(2R)-2-(3-benzoylphenyl)propanoic acid

>  <XlogP>
3.100

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC(C1=CC=CC(=C1)C(=O)C2=CC=CC=C2)C(=O)O

>  <Isomeric SMILES>
C[C@H](C1=CC=CC(=C1)C(=O)C2=CC=CC=C2)C(=O)O

>  <InChI Std. ID>
InChI=1S/C16H14O3/c1-11(16(18)19)13-8-5-9-14(10-13)15(17)12-6-3-2-4-7-12/h2-11H,1H3,(H,18,19)/t11-/m1/s1

>  <InChI Key>
DKYWVDODHFEZIM-LLVKDONJSA-N

