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180, "iupac_name": "propan-2-one", "common_name": "acetone", "smile": "CC(=O)C", "molecular_weight": 58.08, "hbd_count": 0, "hba_count": 1, "num_rotatablebonds": 0, "complexity": 26.3, "topological_polor_surfacearea": 17.1, "monoisotopic_mass": 58.042, "exact_mass": 58.042, "xlogp": "-0.1", "charge": 0, "heavy_atom_count": 4, "atom_stereo_count": 0, "defined_atom_stereocenter_count": 0, "undefined_atom_stereocenter_count": 0, "bond_stereo_count": 0, "defined_bond_stereocenter_count": 0, "undefined_bond_stereocenter_count": 0, "isotope_atom_count": 0, "covalently_bonded_unit_count": 1, "cas_id": "4468-52-4@67-64-1", "fema_number": "3326", "fema_flavor_profile": "Pungent", "odor": "fruity odor@characteristic odor", "taste": "pungent, sweetish", "functional_groups": "carbonyl compound@ketone", "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3", "volume3d": "52.8", "fooddb_flavor_profile": "solvent@apple@pear@ethereal", "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, 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