
 Potassium valerate

 17 15  0  0  0  0  0  0  0  0999 V2000
    3.0038   -2.0569    0.9903 C   0  0  0  0  0
    4.2525   -1.4391    0.3813 C   0  0  0  0  0
    4.0031    0.0009   -0.0680 C   0  0  0  0  0
    5.2588    0.6202   -0.6708 C   0  0  0  0  0
    5.0837    2.0400   -1.1514 C   0  0  0  0  0
    6.0910    2.6120   -1.6679 O   0  0  0  0  0
    3.9635    2.6158   -1.0341 O   0  0  0  0  0
    4.8167    4.6867   -2.0806 K   0  0  0  0  0
    3.2027   -3.0882    1.2979 H   0  0  0  0  0
    2.1806   -2.0700    0.2690 H   0  0  0  0  0
    2.6793   -1.4958    1.8724 H   0  0  0  0  0
    4.5730   -2.0454   -0.4741 H   0  0  0  0  0
    5.0629   -1.4646    1.1192 H   0  0  0  0  0
    3.6695    0.6000    0.7882 H   0  0  0  0  0
    3.1903    0.0190   -0.8043 H   0  0  0  0  0
    5.5945    0.0180   -1.5236 H   0  0  0  0  0
    6.0658    0.6148    0.0715 H   0  0  0  0  0
  1  2  1  0  0  0
  1  9  1  0  0  0
  1 10  1  0  0  0
  1 11  1  0  0  0
  2  3  1  0  0  0
  2 12  1  0  0  0
  2 13  1  0  0  0
  3  4  1  0  0  0
  3 14  1  0  0  0
  3 15  1  0  0  0
  4  5  1  0  0  0
  4 16  1  0  0  0
  4 17  1  0  0  0
  5  7  1  0  0  0
  5  6  2  0  0  0
M  CHG  2   7  -1   8   1
M  END

>  <Chemical Name>
Potassium valerate

>  <PubChem CID>
23668516

>  <Formula>
C5H9KO2

>  <Molecular Weight>
140.223000

>  <IUPAC Name>
potassium;pentanoate

>  <XlogP>
-10000

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
2

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

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

>  <InChI Std. ID>
InChI=1S/C5H10O2.K/c1-2-3-4-5(6)7;/h2-4H2,1H3,(H,6,7);/q;+1/p-1

>  <InChI Key>
OPCDHYPGIGFJGH-UHFFFAOYSA-M

