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Feature1-DODECANOLAcetone
FormuladiffersC12H26OC3H6O
Molar massdiffers186.33 g·mol−158.08 g·mol−1
Exact massdiffers186.19836544958.041864811
DBEdiffers01
H-bond donorsdiffers10
H-bond acceptors11
TPSAdiffers20.217.1
logPdiffers5.1 (PubChem computed XLogP3-AA descriptor)-0.1 (PubChem computed XLogP3-AA descriptor)
Melting pointNot availableNot available
Boiling pointdiffersNot available56.05 deg C (1 atm)
DensitydiffersNot available0.7845 g/mL (25 deg C)
Functional groupsdiffersAlcoholKetone
Available spectrasimulated IRsimulated IR
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