
 3-Hydroxydecanoic acid

 33 32  0  0  0  0  0  0  0  0999 V2000
    4.8944    0.1422    3.6281 C   0  0  0  0  0
    4.5903    0.7884    2.2850 C   0  0  0  0  0
    4.9527    2.2741    2.2849 C   0  0  0  0  0
    4.5816    2.9889    0.9816 C   0  0  0  0  0
    5.2897    2.4787   -0.2777 C   0  0  0  0  0
    6.8198    2.5408   -0.2456 C   0  0  0  0  0
    7.4244    3.9317   -0.0074 C   0  0  0  0  0
    7.0520    4.9742   -1.0727 C   0  0  0  0  0
    7.6546    6.3562   -0.8072 C   0  0  0  0  0
    9.1567    6.3376   -0.7974 C   0  0  0  0  0
    9.8777    5.5812   -1.4289 O   0  0  0  0  0
    9.6811    7.3043   -0.0215 O   0  0  0  0  0
    7.4129    4.5144   -2.3734 O   0  0  0  0  0
    4.6144   -0.9159    3.6115 H   0  0  0  0  0
    4.3359    0.6282    4.4345 H   0  0  0  0  0
    5.9621    0.2072    3.8609 H   0  0  0  0  0
    3.5243    0.6658    2.0612 H   0  0  0  0  0
    5.1505    0.2579    1.5079 H   0  0  0  0  0
    6.0211    2.3982    2.4941 H   0  0  0  0  0
    4.4195    2.7697    3.1061 H   0  0  0  0  0
    4.7798    4.0605    1.1017 H   0  0  0  0  0
    3.4988    2.8998    0.8267 H   0  0  0  0  0
    4.9210    3.0493   -1.1383 H   0  0  0  0  0
    4.9896    1.4415   -0.4683 H   0  0  0  0  0
    7.2008    2.1426   -1.1943 H   0  0  0  0  0
    7.1942    1.8626    0.5305 H   0  0  0  0  0
    8.5128    3.7982    0.0112 H   0  0  0  0  0
    7.1391    4.2994    0.9849 H   0  0  0  0  0
    5.9639    5.0984   -1.0829 H   0  0  0  0  0
    7.2950    6.7285    0.1585 H   0  0  0  0  0
    7.3495    7.0584   -1.5911 H   0  0  0  0  0
   10.6510    7.2036   -0.1241 H   0  0  0  0  0
    8.3883    4.4338   -2.3983 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 13  1  0  0  0
  8  9  1  0  0  0
  8 29  1  0  0  0
  9 10  1  0  0  0
  9 30  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>
3-Hydroxydecanoic acid

>  <PubChem CID>
26612

>  <Formula>
C10H20O3

>  <Molecular Weight>
188.267000

>  <IUPAC Name>
3-hydroxydecanoic acid

>  <XlogP>
2.5

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CCCCCCCC(CC(=O)O)O

>  <Isomeric SMILES>
CCCCCCCC(CC(=O)O)O

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

>  <InChI Key>
FYSSBMZUBSBFJL-UHFFFAOYSA-N

