
 SODIUM BUTYRATE

 14 12  0  0  0  0  0  0  0  0999 V2000
    1.0000    0.0000    0.0000 C   0  0  0  0  0
    2.8318   -0.1912    0.2981 C   0  0  0  0  0
    3.5652    1.1277    0.0980 C   0  0  0  0  0
    3.1768    1.7137   -1.2535 C   0  0  0  0  0
    1.9208    1.8543   -1.3647 O   0  0  0  0  0
    4.0952    1.8601   -2.0857 O   0  0  0  0  0
    1.0000    0.0000    0.0000 Na  0  0  0  0  0
    0.3454   -1.1195    0.6696 H   0  0  0  0  0
    0.6604   -0.1267   -1.4127 H   0  0  0  0  0
    0.4877    1.2252    0.6017 H   0  0  0  0  0
    3.1596   -0.9706   -0.4005 H   0  0  0  0  0
    2.9293   -0.5494    1.3296 H   0  0  0  0  0
    4.6469    0.9707    0.1637 H   0  0  0  0  0
    3.2822    1.8406    0.8804 H   0  0  0  0  0
  1  2  1  0  0  0
  1  8  1  0  0  0
  1  9  1  0  0  0
  1 10  1  0  0  0
  2  3  1  0  0  0
  2 11  1  0  0  0
  2 12  1  0  0  0
  3  4  1  0  0  0
  3 13  1  0  0  0
  3 14  1  0  0  0
  4  6  1  0  0  0
  4  5  2  0  0  0
M  CHG  2   6  -1   7   1
M  END

>  <Chemical Name>
SODIUM BUTYRATE

>  <PubChem CID>
5222465

>  <Formula>
C4H7NaO2

>  <Molecular Weight>
110.088000

>  <IUPAC Name>
sodium;butanoate

>  <XlogP>
-10000

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CCCC(=O)[O-].[Na+]

>  <Isomeric SMILES>
CCCC(=O)[O-].[Na+]

>  <InChI Std. ID>
InChI=1S/C4H8O2.Na/c1-2-3-4(5)6;/h2-3H2,1H3,(H,5,6);/q;+1/p-1

>  <InChI Key>
MFBOGIVSZKQAPD-UHFFFAOYSA-M

