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Chem Tertiary Butyl Acetate | Cheminformatics

Tertiary Butyl Acetate


  • SKU Code: CH137334
Chemical Name - Tertiary Butyl Acetate
Mol Weight - 116.159
Smiles - CC(C)(C)OC(C)=O
Property Name Property Value
Mol NameTertiary Butyl Acetate
Molweight116.159
Monoisotopic Mass116.08373
Clogp1.275
Clogs-1.374
H Acceptors2
Total Surface Area100.7
Relative Psa0.2288
Polar Surface Area26.3
Druglikeness-27.137
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritanthigh
Shape Index0.625
Molecular Flexibility0.58954
Molecular Complexity0.59725
Fragments1
Non H Atoms8
Non Ch Atoms2
Electronegative Atoms2
Rotatable Bonds2
Sp3 Atoms6
Symmetric Atoms2
SmilesCC(C)(C)OC(C)=O
InChIKeyInChI=1S/C6H12O2/c1-5(7)8-6(2,3)4/h1-4H3
InChIWMOVHXAZOJBABW-UHFFFAOYSA-N

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