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Itaconic acid


  • SKU Code: CH136760
Chemical Name - Itaconic acid
Mol Weight - 130.099
Smiles - C=C(CC(O)=O)C(O)=O
Property Name Property Value
Mol NameItaconic acid
Molweight130.099
Monoisotopic Mass130.02661
Clogp-0.2457
Clogs-0.537
H Acceptors4
H Donors2
Total Surface Area98.21
Relative Psa0.53233
Polar Surface Area74.6
Druglikeness-5.1515
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Shape Index0.66667
Molecular Flexibility0.83618
Molecular Complexity0.62123
Fragments1
Non H Atoms9
Non Ch Atoms4
Electronegative Atoms4
Rotatable Bonds3
Sp3 Atoms3
Acidic Oxygens2
SmilesC=C(CC(O)=O)C(O)=O
InChIC5H6O4

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