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2D Structure

Tert-Amyl Alcohol


  • SKU Code: CH140852
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Chemical Name - Tert-Amyl Alcohol
Mol Weight - 88.1493
Smiles - CCC(C)(C)O
Property Name Property Value
Mol NameTert-Amyl Alcohol
Molweight88.1493
Monoisotopic Mass88.088815
Clogp1.2448
Clogs-1.234
H Acceptors1
H Donors1
Total Surface Area80.8
Relative Psa0.16213
Polar Surface Area20.23
Druglikeness-3.1568
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantlow
Shape Index0.66667
Molecular Flexibility0.68961
Molecular Complexity0.69315
Fragments1
Non H Atoms6
Non Ch Atoms1
Electronegative Atoms1
Rotatable Bonds1
Sp3 Atoms6
Symmetric Atoms1
SmilesCCC(C)(C)O
InChIKeyInChI=1S/C5H12O/c1-4-5(2,3)6/h6H,4H2,1-3H3
InChIMSXVEPNJUHWQHW-UHFFFAOYSA-N

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