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FeatureNITROBENZENEAcetone
FormuladiffersC6H5NO2C3H6O
Molar massdiffers123.11 g·mol−158.08 g·mol−1
Exact massdiffers123.03202840258.041864811
DBEdiffers51
H-bond donors00
H-bond acceptorsdiffers21
TPSAdiffers45.817.1
logPdiffers1.9 (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 groupsdiffersAlkene, Aromatic ring, Nitro compound, PhenolKetone
Available spectrasimulated IRsimulated IR
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