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Chem Butyl Acrylate 2deep | Cheminformatics

Butyl Acrylate


  • SKU Code: CH137329
Chemical Name - Butyl Acrylate
Mol Weight - 128.17
Smiles - CCCCOC(C=C)=O
Property Name Property Value
Mol NameButyl Acrylate
Molweight128.17
Monoisotopic Mass128.08373
Clogp1.7128
Clogs-1.636
H Acceptors2
Total Surface Area119.33
Relative Psa0.19308
Polar Surface Area26.3
Druglikeness-18.179
Mutagenichigh
Tumorigenichigh
Reproductive Effectivehigh
Irritanthigh
Shape Index0.88889
Molecular Flexibility0.53018
Molecular Complexity0.48648
Fragments1
Non H Atoms9
Non Ch Atoms2
Electronegative Atoms2
Rotatable Bonds5
Sp3 Atoms5
SmilesCCCCOC(C=C)=O
InChIKeyInChI=1S/C7H12O2/c1-3-5-6-9-7(8)4-2/h4H,2-3,5-6H2,1H3
InChICQEYYJKEWSMYFG-UHFFFAOYSA-N

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