Chem Cyanoacetic Acid Molychem | Cheminformatics
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2D Structure

Cyanoacetic Acid


  • SKU Code: CH140867
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Chemical Name - Cyanoacetic Acid
Mol Weight - 85.0618
Smiles - N#CCC(O)=O
Property Name Property Value
Mol NameCyanoacetic Acid
Molweight85.0618
Monoisotopic Mass85.016379
Clogp-0.5991
Clogs-0.877
H Acceptors3
H Donors1
Total Surface Area73.07
Relative Psa0.54331
Polar Surface Area61.09
Druglikeness-8.718
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Shape Index0.83333
Molecular Flexibility0.65898
Molecular Complexity0.80472
Fragments1
Non H Atoms6
Non Ch Atoms3
Electronegative Atoms3
Rotatable Bonds1
Sp3 Atoms2
Acidic Oxygens1
SmilesN#CCC(O)=O
InChIKeyInChI=1S/C3H3NO2/c4-2-1-3(5)6/h1H2,(H,5,6)
InChIMLIREBYILWEBDM-UHFFFAOYSA-N

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