Chem Sorbic Acid | Cheminformatics
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2D Structure

Sorbic acid


  • SKU Code: CH138191
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Chemical Name - Sorbic acid
Mol Weight - 112.128
Smiles - C/C=C/C=C/C(O)=O
Property Name Property Value
Mol NameSorbic acid
Molweight112.128
Monoisotopic Mass112.05243
Clogp1.0141
Clogs-1.083
H Acceptors2
H Donors1
Total Surface Area102.86
Relative Psa0.25413
Polar Surface Area37.3
Druglikeness-1.9917
Mutagenichigh
Tumorigenichigh
Reproductive Effectivenone
Irritanthigh
Shape Index0.875
Molecular Flexibility0.28398
Molecular Complexity0.59725
Fragments1
Non H Atoms8
Non Ch Atoms2
Electronegative Atoms2
Rotatable Bonds2
Sp3 Atoms2
Acidic Oxygens1
SmilesC/C=C/C=C/C(O)=O
InChIKeyInChI=1S/C6H8O2/c1-2-3-4-5-6(7)8/h2-5H,1H3,(H,7,8)
InChIWSWCOQWTEOXDQX-UHFFFAOYSA-N

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