
 Potassium heptanoate

 23 21  0  0  0  0  0  0  0  0999 V2000
    0.7439    1.0969   -0.9805 C   0  0  0  0  0
    2.2363    0.8082   -0.9752 C   0  0  0  0  0
    3.0344    1.9899   -0.4245 C   0  0  0  0  0
    4.5338    1.6874   -0.4109 C   0  0  0  0  0
    5.3341    2.8599    0.1639 C   0  0  0  0  0
    6.8363    2.5929    0.1604 C   0  0  0  0  0
    7.3021    1.5075    1.1007 C   0  0  0  0  0
    6.6276    1.2462    2.1380 O   0  0  0  0  0
    8.3728    0.8956    0.8102 O   0  0  0  0  0
    8.1851   -0.5531    2.8046 K   0  0  0  0  0
    0.1939    0.2405   -1.3831 H   0  0  0  0  0
    0.5150    1.9698   -1.6001 H   0  0  0  0  0
    0.3782    1.2890    0.0333 H   0  0  0  0  0
    2.5632    0.5822   -1.9967 H   0  0  0  0  0
    2.4268   -0.0848   -0.3686 H   0  0  0  0  0
    2.6961    2.2190    0.5936 H   0  0  0  0  0
    2.8440    2.8802   -1.0365 H   0  0  0  0  0
    4.8743    1.4764   -1.4319 H   0  0  0  0  0
    4.7141    0.7832    0.1815 H   0  0  0  0  0
    4.9906    3.0806    1.1818 H   0  0  0  0  0
    5.1382    3.7567   -0.4370 H   0  0  0  0  0
    7.3578    3.5115    0.4555 H   0  0  0  0  0
    7.1656    2.3531   -0.8578 H   0  0  0  0  0
  1  2  1  0  0  0
  1 11  1  0  0  0
  1 12  1  0  0  0
  1 13  1  0  0  0
  2  3  1  0  0  0
  2 14  1  0  0  0
  2 15  1  0  0  0
  3  4  1  0  0  0
  3 16  1  0  0  0
  3 17  1  0  0  0
  4  5  1  0  0  0
  4 18  1  0  0  0
  4 19  1  0  0  0
  5  6  1  0  0  0
  5 20  1  0  0  0
  5 21  1  0  0  0
  6  7  1  0  0  0
  6 22  1  0  0  0
  6 23  1  0  0  0
  7  9  1  0  0  0
  7  8  2  0  0  0
M  CHG  2   9  -1  10   1
M  END

>  <Chemical Name>
Potassium heptanoate

>  <PubChem CID>
23681741

>  <Formula>
C7H13KO2

>  <Molecular Weight>
168.277000

>  <IUPAC Name>
potassium;heptanoate

>  <XlogP>
-10000

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CCCCCCC(=O)[O-].[K+]

>  <Isomeric SMILES>
CCCCCCC(=O)[O-].[K+]

>  <InChI Std. ID>
InChI=1S/C7H14O2.K/c1-2-3-4-5-6-7(8)9;/h2-6H2,1H3,(H,8,9);/q;+1/p-1

>  <InChI Key>
YOSXTSJZQNTKKX-UHFFFAOYSA-M

