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FeatureSCHEMBL1443395Acetone
FormuladiffersC12H25FC3H6O
Molar massdiffers188.32 g·mol−158.08 g·mol−1
Exact massdiffers188.1940289658.041864811
DBEdiffers01
H-bond donors00
H-bond acceptors11
TPSAdiffers017.1
logPdiffers6.1 (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 groupsdiffersNone assignedKetone
Available spectradiffersNonesimulated IR
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