
 Phenethyl salicylate

 32 33  0  0  0  0  0  0  0  0999 V2000
    1.4933   -1.1107   -4.6887 C   0  0  0  0  0
    2.3490   -0.0198   -4.5515 C   0  0  0  0  0
    2.2859    0.7772   -3.4082 C   0  0  0  0  0
    1.3652    0.4902   -2.3903 C   0  0  0  0  0
    0.5125   -0.6119   -2.5360 C   0  0  0  0  0
    0.5758   -1.4065   -3.6821 C   0  0  0  0  0
    1.3149    1.3449   -1.1449 C   0  0  0  0  0
    2.1777    0.7850   -0.0111 C   0  0  0  0  0
    3.5714    0.7407   -0.3655 O   0  0  0  0  0
    4.2432    1.9125   -0.3068 C   0  0  0  0  0
    3.7871    2.9911    0.0474 O   0  0  0  0  0
    5.6504    1.7510   -0.7537 C   0  0  0  0  0
    6.1424    0.5120   -1.1934 C   0  0  0  0  0
    7.4710    0.3869   -1.6095 C   0  0  0  0  0
    8.3158    1.4955   -1.5915 C   0  0  0  0  0
    7.8349    2.7319   -1.1611 C   0  0  0  0  0
    6.5098    2.8596   -0.7459 C   0  0  0  0  0
    6.1265    4.1126   -0.3454 O   0  0  0  0  0
    1.5410   -1.7297   -5.5809 H   0  0  0  0  0
    3.0653    0.2121   -5.3350 H   0  0  0  0  0
    2.9608    1.6251   -3.3157 H   0  0  0  0  0
   -0.2085   -0.8575   -1.7600 H   0  0  0  0  0
   -0.0920   -2.2573   -3.7903 H   0  0  0  0  0
    0.2745    1.4211   -0.8060 H   0  0  0  0  0
    1.6277    2.3639   -1.4014 H   0  0  0  0  0
    1.8794   -0.2419    0.2281 H   0  0  0  0  0
    2.0449    1.3751    0.9037 H   0  0  0  0  0
    5.5028   -0.3679   -1.2209 H   0  0  0  0  0
    7.8458   -0.5765   -1.9476 H   0  0  0  0  0
    9.3495    1.3987   -1.9140 H   0  0  0  0  0
    8.4916    3.5980   -1.1487 H   0  0  0  0  0
    5.1793    4.0849   -0.0868 H   0  0  0  0  0
  1  2  2  0  0  0
  1  6  1  0  0  0
  1 19  1  0  0  0
  2  3  1  0  0  0
  2 20  1  0  0  0
  3  4  2  0  0  0
  3 21  1  0  0  0
  4  5  1  0  0  0
  4  7  1  0  0  0
  5  6  2  0  0  0
  5 22  1  0  0  0
  6 23  1  0  0  0
  7  8  1  0  0  0
  7 24  1  0  0  0
  7 25  1  0  0  0
  8  9  1  0  0  0
  8 26  1  0  0  0
  8 27  1  0  0  0
  9 10  1  0  0  0
 10 12  1  0  0  0
 10 11  2  0  0  0
 12 13  2  0  0  0
 12 17  1  0  0  0
 13 14  1  0  0  0
 13 28  1  0  0  0
 14 15  2  0  0  0
 14 29  1  0  0  0
 15 16  1  0  0  0
 15 30  1  0  0  0
 16 17  2  0  0  0
 16 31  1  0  0  0
 17 18  1  0  0  0
 18 32  1  0  0  0
M  END

>  <Chemical Name>
Phenethyl salicylate

>  <PubChem CID>
62332

>  <Formula>
C15H14O3

>  <Molecular Weight>
242.274000

>  <IUPAC Name>
2-phenylethyl 2-hydroxybenzoate

>  <XlogP>
4.500

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
C1=CC=C(C=C1)CCOC(=O)C2=CC=CC=C2O

>  <Isomeric SMILES>
C1=CC=C(C=C1)CCOC(=O)C2=CC=CC=C2O

>  <InChI Std. ID>
InChI=1S/C15H14O3/c16-14-9-5-4-8-13(14)15(17)18-11-10-12-6-2-1-3-7-12/h1-9,16H,10-11H2

>  <InChI Key>
YNMSDIQQNIRGDP-UHFFFAOYSA-N

