Chem Acrylonitrile PA Pacific | Cheminformatics
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2D Structure

Acrylonitrile


  • SKU Code: CH138866
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Chemical Name - Acrylonitrile
Mol Weight - 53.0638
Smiles - C=CC#N
Property Name Property Value
Mol NameAcrylonitrile
Molweight53.0638
Monoisotopic Mass53.026549
Clogp0.4917
Clogs-1.341
H Acceptors1
Total Surface Area59.75
Relative Psa0.22695
Polar Surface Area23.79
Druglikeness-8.7398
Mutagenichigh
Tumorigenichigh
Reproductive Effectivehigh
Irritanthigh
Shape Index1
Fragments1
Non H Atoms4
Non Ch Atoms1
Electronegative Atoms1
SmilesC=CC#N
InChIKeyInChI=1S/C3H3N/c1-2-3-4/h2H,1H2
InChINLHHRLWOUZZQLW-UHFFFAOYSA-N

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