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FeatureATROPINEAcetone
FormuladiffersC17H23NO3C3H6O
Molar massdiffers289.4 g·mol−158.08 g·mol−1
Exact massdiffers289.167793658.041864811
DBEdiffers71
H-bond donorsdiffers10
H-bond acceptorsdiffers41
TPSAdiffers49.817.1
logPdiffers1.8 (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, Amine, Aromatic ring, PhenolKetone
Available spectrasimulated IRsimulated IR
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