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Chem Potassium Sorbate 2 | Cheminformatics

Potassium Sorbate


  • SKU Code: CH138194
Chemical Name - Potassium Sorbate
Mol Weight - 111.12
Smiles - C/C=C/C=C/C([O-])=O.[K+]
Property Name Property Value
Mol NamePotassium Sorbate
Molweight111.12
Monoisotopic Mass111.044605
Clogp-1.0619
Clogs-1.083
H Acceptors2
Total Surface Area104.04
Relative Psa0.26259
Polar Surface Area40.13
Druglikeness-2.76
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Shape Index0.875
Molecular Flexibility0.34833
Molecular Complexity0.59725
Fragments2
Non H Atoms8
Non Ch Atoms2
Electronegative Atoms2
Rotatable Bonds2
Sp3 Atoms2
Acidic Oxygens1
SmilesC/C=C/C=C/C([O-])=O.[K+]
InChIKeyInChI=1S/C6H8O2.K/c1-2-3-4-5-6(7)8;/h2-5H,1H3,(H,7,8);/q;+1/p-1
InChICHHHXKFHOYLYRE-UHFFFAOYSA-M

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1 - Potassium Sorbate
2 - Potassium Sorbate
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