
 2-HYDROXYDECANOIC ACID

 33 32  0  0  0  0  0  0  0  0999 V2000
    0.9718   -0.2910   -0.0895 C   0  0  0  0  0
    2.4912   -0.2278   -0.0926 C   0  0  0  0  0
    2.9901    1.2163   -0.1309 C   0  0  0  0  0
    4.5181    1.2793   -0.1172 C   0  0  0  0  0
    5.0113    2.7268   -0.1223 C   0  0  0  0  0
    6.5382    2.7982   -0.0586 C   0  0  0  0  0
    7.0222    4.2491   -0.0077 C   0  0  0  0  0
    8.5449    4.3228    0.1144 C   0  0  0  0  0
    9.0737    5.7563    0.1500 C   0  0  0  0  0
    8.6916    6.4610    1.4534 C   0  0  0  0  0
    7.6453    7.0350    1.7021 O   0  0  0  0  0
    9.6551    6.3444    2.3990 O   0  0  0  0  0
   10.4976    5.7113    0.0030 O   0  0  0  0  0
    0.6357   -1.3320   -0.0587 H   0  0  0  0  0
    0.5583    0.1736   -0.9900 H   0  0  0  0  0
    0.5600    0.2248    0.7837 H   0  0  0  0  0
    2.8734   -0.7778   -0.9605 H   0  0  0  0  0
    2.8729   -0.7303    0.8041 H   0  0  0  0  0
    2.5926    1.7632    0.7327 H   0  0  0  0  0
    2.6095    1.7137   -1.0311 H   0  0  0  0  0
    4.9181    0.7505   -0.9907 H   0  0  0  0  0
    4.8979    0.7655    0.7743 H   0  0  0  0  0
    4.5848    3.2609    0.7356 H   0  0  0  0  0
    4.6566    3.2345   -1.0276 H   0  0  0  0  0
    6.9684    2.2947   -0.9330 H   0  0  0  0  0
    6.8928    2.2628    0.8306 H   0  0  0  0  0
    6.5526    4.7519    0.8448 H   0  0  0  0  0
    6.6992    4.7759   -0.9137 H   0  0  0  0  0
    9.0053    3.7924   -0.7291 H   0  0  0  0  0
    8.8703    3.7882    1.0163 H   0  0  0  0  0
    8.6896    6.3484   -0.6865 H   0  0  0  0  0
    9.2822    6.8258    3.1691 H   0  0  0  0  0
   10.8515    5.5458    0.8994 H   0  0  0  0  0
  1  2  1  0  0  0
  1 14  1  0  0  0
  1 15  1  0  0  0
  1 16  1  0  0  0
  2  3  1  0  0  0
  2 17  1  0  0  0
  2 18  1  0  0  0
  3  4  1  0  0  0
  3 19  1  0  0  0
  3 20  1  0  0  0
  4  5  1  0  0  0
  4 21  1  0  0  0
  4 22  1  0  0  0
  5  6  1  0  0  0
  5 23  1  0  0  0
  5 24  1  0  0  0
  6  7  1  0  0  0
  6 25  1  0  0  0
  6 26  1  0  0  0
  7  8  1  0  0  0
  7 27  1  0  0  0
  7 28  1  0  0  0
  8  9  1  0  0  0
  8 29  1  0  0  0
  8 30  1  0  0  0
  9 13  1  0  0  0
  9 10  1  0  0  0
  9 31  1  0  0  0
 10 12  1  0  0  0
 10 11  2  0  0  0
 12 32  1  0  0  0
 13 33  1  0  0  0
M  END

>  <Chemical Name>
2-HYDROXYDECANOIC ACID

>  <PubChem CID>
21488

>  <Formula>
C10H20O3

>  <Molecular Weight>
188.267000

>  <IUPAC Name>
2-hydroxydecanoic acid

>  <XlogP>
3.1

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
3

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

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

>  <InChI Std. ID>
InChI=1S/C10H20O3/c1-2-3-4-5-6-7-8-9(11)10(12)13/h9,11H,2-8H2,1H3,(H,12,13)

>  <InChI Key>
GHPVDCPCKSNJDR-UHFFFAOYSA-N

