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FeatureIbuprofenAcetone
FormuladiffersC13H18O2C3H6O
Molar massdiffers206.28 g·mol−158.08 g·mol−1
Exact massdiffers206.13067981358.041864811
DBEdiffers51
H-bond donorsdiffers10
H-bond acceptorsdiffers21
TPSAdiffers37.317.1
logPdiffers3.5 (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 groupsdiffersAlcohol, Alkene, Aromatic ring, Carboxylic acid, PhenolKetone
Available spectrasimulated IRsimulated IR
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