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FeatureMALONONITRILEAcetone
FormuladiffersC3H2N2C3H6O
Molar massdiffers66.06 g·mol−158.08 g·mol−1
Exact massdiffers66.02179807258.041864811
DBEdiffers41
H-bond donors00
H-bond acceptorsdiffers21
TPSAdiffers47.617.1
logPdiffers-0.5 (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 groupsdiffersNitrileKetone
Available spectrasimulated IRsimulated IR
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