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Chem Homophthalic Acid | Cheminformatics

Homophthalic Acid


  • SKU Code: CH137292
Chemical Name - Homophthalic Acid
Mol Weight - 180.159
Smiles - OC(Cc(cccc1)c1C(O)=O)=O
Property Name Property Value
Mol NameHomophthalic Acid
Molweight180.159
Monoisotopic Mass180.04226
Clogp0.6279
Clogs-1.607
H Acceptors4
H Donors2
Total Surface Area135.22
Relative Psa0.38663
Polar Surface Area74.6
Druglikeness-1.7208
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Shape Index0.53846
Molecular Flexibility0.56514
Molecular Complexity0.69052
Fragments1
Non H Atoms13
Non Ch Atoms4
Electronegative Atoms4
Rotatable Bonds3
Rings Closures1
Small Rings1
Aromatic Rings1
Aromatic Atoms6
Sp3 Atoms3
Acidic Oxygens2
SmilesOC(Cc(cccc1)c1C(O)=O)=O
InChIKeyInChI=1S/C9H8O4/c10-8(11)5-6-3-1-2-4-7(6)9(12)13/h1-4H,5H2,(H,10,11)(H,12,13)
InChIZHQLTKAVLJKSKR-UHFFFAOYSA-N

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