Chem 2 Butoxyethanol Molychem | Cheminformatics
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2D Structure

2-Butoxyethanol


  • SKU Code: CH140942
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Chemical Name - 2-Butoxyethanol
Mol Weight - 118.175
Smiles - CCCCOCCO
Property Name Property Value
Mol Name2-Butoxyethanol
Molweight118.175
Monoisotopic Mass118.09938
Clogp0.8668
Clogs-0.938
H Acceptors2
H Donors1
Total Surface Area110.91
Relative Psa0.20828
Polar Surface Area29.46
Druglikeness-12.265
Mutagenichigh
Tumorigenichigh
Reproductive Effectivehigh
Irritanthigh
Shape Index1
Molecular Flexibility0.66894
Molecular Complexity0.4621
Fragments1
Non H Atoms8
Non Ch Atoms2
Electronegative Atoms2
Rotatable Bonds5
Sp3 Atoms8
SmilesCCCCOCCO
InChIKeyInChI=1S/C6H14O2/c1-2-3-5-8-6-4-7/h7H,2-6H2,1H3
InChIPOAOYUHQDCAZBD-UHFFFAOYSA-N

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