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FeaturevalineAcetone
FormuladiffersC5H11NO2C3H6O
Molar massdiffers117.15 g·mol−158.08 g·mol−1
Exact massdiffers117.07897859458.041864811
DBE11
H-bond donorsdiffers20
H-bond acceptorsdiffers31
TPSAdiffers63.317.1
logPdiffers-2.3 (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, Amine, Carboxylic acidKetone
Available spectrasimulated IRsimulated IR
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