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

FeatureINDIGOAcetone
FormuladiffersC16H10N2O2C3H6O
Molar massdiffers262.26 g·mol−158.08 g·mol−1
Exact massdiffers262.07422756658.041864811
DBEdiffers131
H-bond donorsdiffers20
H-bond acceptorsdiffers31
TPSAdiffers65.517.1
logPdiffers2.7 (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 groupsdiffersAlkene, Aromatic ring, PhenolKetone
Available spectrasimulated IRsimulated IR
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