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Compare two to four records by formula, structure, functional groups, descriptors, source-backed properties, and spectroscopy availability.

FeatureinositolAcetone
FormuladiffersC6H12O6C3H6O
Molar massdiffers180.16 g·mol−158.08 g·mol−1
Exact massdiffers180.063388158.041864811
DBE11
H-bond donorsdiffers60
H-bond acceptorsdiffers61
TPSAdiffers12117.1
logPdiffers-3.7 (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, Aromatic ring, PhenolKetone
Available spectrasimulated IRsimulated IR
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