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Chem Potassium Pyrosulfate Ncc | Cheminformatics

Potassium Pyrosulfate


  • SKU Code: CH142096
Chemical Name - Potassium Pyrosulfate
Mol Weight - 176.125
Smiles - [O-]S(OS([O-])(=O)=O)(=O)=O.[K+].[K+]
InChI - KAQHZJVQFBJKCK-UHFFFAOYSA-L
InChIKey - InChI=1S/2K.H2O7S2/c;;1-8(2,3)7-9(4,5)6/h;;(H,1,2,3)(H,4,5,6)/q2*+1;/p-2
Property Name Property Value
Mol NamePotassium Pyrosulfate
Molweight176.125
Monoisotopic Mass175.908545
Clogp-6.7342
Clogs2.166
H Acceptors7
Total Surface Area95.72
Relative Psa1
Polar Surface Area140.39
Druglikeness-9.3351
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Shape Index0.55556
Molecular Flexibility0.8346
Molecular Complexity0.64124
Fragments3
Non H Atoms9
Non Ch Atoms9
Electronegative Atoms9
Rotatable Bonds2
Sp3 Atoms5
Symmetric Atoms5
Acidic Oxygens2
Smiles[O-]S(OS([O-])(=O)=O)(=O)=O.[K+].[K+]
InChIKeyInChI=1S/2K.H2O7S2/c;;1-8(2,3)7-9(4,5)6/h;;(H,1,2,3)(H,4,5,6)/q2*+1;/p-2
InChIKAQHZJVQFBJKCK-UHFFFAOYSA-L

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