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ISO Phthalic Acid


  • SKU Code: CH136741
Chemical Name - ISO Phthalic Acid
Mol Weight - 166.132
Smiles - OC(c1cccc(C(O)=O)c1)=O
Property Name Property Value
Mol NameISO Phthalic Acid
Molweight166.132
Monoisotopic Mass166.02661
Clogp0.6298
Clogs-1.642
H Acceptors4
H Donors2
Total Surface Area121.46
Relative Psa0.43043
Polar Surface Area74.6
Druglikeness-1.8442
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritanthigh
Shape Index0.58333
Molecular Flexibility0.48392
Molecular Complexity0.64864
Fragments1
Non H Atoms12
Non Ch Atoms4
Electronegative Atoms4
Rotatable Bonds2
Rings Closures1
Small Rings1
Aromatic Rings1
Aromatic Atoms6
Sp3 Atoms2
Symmetric Atoms5
Acidic Oxygens2
SmilesOC(c1cccc(C(O)=O)c1)=O
InChIC8H6O4

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