Chem Butyl Acetate Memb | Cheminformatics
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2D Structure

Butyl Acetate


  • SKU Code: CH138793
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Chemical Name - Butyl Acetate
Mol Weight - 116.159
Smiles - CCCCOC(C)=O
Property Name Property Value
Mol NameButyl Acetate
Molweight116.159
Monoisotopic Mass116.08373
Clogp1.4439
Clogs-1.427
H Acceptors2
Total Surface Area107.05
Relative Psa0.21523
Polar Surface Area26.3
Druglikeness-6.6014
Mutagenicnone
Tumorigenicnone
Reproductive Effectivehigh
Irritanthigh
Shape Index0.875
Molecular Flexibility0.52063
Molecular Complexity0.59725
Fragments1
Non H Atoms8
Non Ch Atoms2
Electronegative Atoms2
Rotatable Bonds4
Sp3 Atoms6
SmilesCCCCOC(C)=O
InChIKeyInChI=1S/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3
InChIDKPFZGUDAPQIHT-UHFFFAOYSA-N

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