
 2-Hydroxyoctanoic acid

 27 26  0  0  0  0  0  0  0  0999 V2000
    0.5822    1.6220   -1.8359 C   0  0  0  0  0
    1.9328    0.9940   -1.5309 C   0  0  0  0  0
    2.9418    2.0381   -1.0527 C   0  0  0  0  0
    4.2969    1.4002   -0.7427 C   0  0  0  0  0
    5.3071    2.4431   -0.2583 C   0  0  0  0  0
    6.6524    1.7912    0.0875 C   0  0  0  0  0
    7.7106    2.7896    0.5623 C   0  0  0  0  0
    8.1699    3.7147   -0.5696 C   0  0  0  0  0
    8.3324    3.4314   -1.7440 O   0  0  0  0  0
    8.4592    4.9580   -0.1153 O   0  0  0  0  0
    7.2114    3.5092    1.6877 O   0  0  0  0  0
   -0.1262    0.8557   -2.1654 H   0  0  0  0  0
    0.6681    2.3695   -2.6309 H   0  0  0  0  0
    0.1667    2.1097   -0.9485 H   0  0  0  0  0
    2.3100    0.4965   -2.4320 H   0  0  0  0  0
    1.8046    0.2217   -0.7634 H   0  0  0  0  0
    2.5562    2.5359   -0.1545 H   0  0  0  0  0
    3.0653    2.8100   -1.8220 H   0  0  0  0  0
    4.6842    0.9046   -1.6412 H   0  0  0  0  0
    4.1706    0.6268    0.0246 H   0  0  0  0  0
    4.9040    2.9552    0.6235 H   0  0  0  0  0
    5.4469    3.2017   -1.0372 H   0  0  0  0  0
    7.0269    1.2365   -0.7814 H   0  0  0  0  0
    6.4804    1.0611    0.8885 H   0  0  0  0  0
    8.6005    2.2451    0.8968 H   0  0  0  0  0
    8.7431    5.4394   -0.9222 H   0  0  0  0  0
    7.7365    4.3329    1.7277 H   0  0  0  0  0
  1  2  1  0  0  0
  1 12  1  0  0  0
  1 13  1  0  0  0
  1 14  1  0  0  0
  2  3  1  0  0  0
  2 15  1  0  0  0
  2 16  1  0  0  0
  3  4  1  0  0  0
  3 17  1  0  0  0
  3 18  1  0  0  0
  4  5  1  0  0  0
  4 19  1  0  0  0
  4 20  1  0  0  0
  5  6  1  0  0  0
  5 21  1  0  0  0
  5 22  1  0  0  0
  6  7  1  0  0  0
  6 23  1  0  0  0
  6 24  1  0  0  0
  7 11  1  0  0  0
  7  8  1  0  0  0
  7 25  1  0  0  0
  8 10  1  0  0  0
  8  9  2  0  0  0
 10 26  1  0  0  0
 11 27  1  0  0  0
M  END

>  <Chemical Name>
2-Hydroxyoctanoic acid

>  <PubChem CID>
94180

>  <Formula>
C8H16O3

>  <Molecular Weight>
160.213000

>  <IUPAC Name>
2-hydroxyoctanoic acid

>  <XlogP>
2.000

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CCCCCCC(C(=O)O)O

>  <Isomeric SMILES>
CCCCCCC(C(=O)O)O

>  <InChI Std. ID>
InChI=1S/C8H16O3/c1-2-3-4-5-6-7(9)8(10)11/h7,9H,2-6H2,1H3,(H,10,11)

>  <InChI Key>
JKRDADVRIYVCCY-UHFFFAOYSA-N

