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Chem Iso Amyl Acetate | Cheminformatics

Iso Amyl Acetate


  • SKU Code: CH137527
Chemical Name - Iso Amyl Acetate
Mol Weight - 130.186
Smiles - CC(C)CCOC(C)=O
Property Name Property Value
Mol NameIso Amyl Acetate
Molweight130.186
Monoisotopic Mass130.09938
Clogp1.6622
Clogs-1.587
H Acceptors2
Total Surface Area118.05
Relative Psa0.19517
Polar Surface Area26.3
Druglikeness-0.97223
Mutagenicnone
Tumorigenicnone
Reproductive Effectivehigh
Irritantlow
Shape Index0.77778
Molecular Flexibility0.61726
Molecular Complexity0.44794
Fragments1
Non H Atoms9
Non Ch Atoms2
Electronegative Atoms2
Rotatable Bonds4
Sp3 Atoms7
Symmetric Atoms1
SmilesCC(C)CCOC(C)=O
InChIKeyInChI=1S/C7H14O2/c1-6(2)4-5-9-7(3)8/h6H,4-5H2,1-3H3
InChIMLFHJEHSLIIPHL-UHFFFAOYSA-N

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