{"pubchem_id": 61634, "iupac_name": "3,5-dimethylcyclopentane-1,2-dione", "common_name": "13494-07-0", "smile": "CC1CC(C(=O)C1=O)C", "molecular_weight": 126.155, "hbd_count": 0, "hba_count": 2, "num_rotatablebonds": 0, "complexity": 142.0, "topological_polor_surfacearea": 34.1, "monoisotopic_mass": 126.068, "exact_mass": 126.068, "xlogp": "0.7", "charge": 0, "heavy_atom_count": 9, "atom_stereo_count": 2, "defined_atom_stereocenter_count": 0, "undefined_atom_stereocenter_count": 2, "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": "13494-07-0", "fema_number": "3269", "fema_flavor_profile": "Savory", "odor": "odor of burnt sugar", "taste": "pleasant, bitter taste", "functional_groups": "carbonyl compound@ketone", "inchi": "InChI=1S/C7H10O2/c1-4-3-5(2)7(9)6(4)8/h4-5H,3H2,1-2H3", "volume3d": "104.1", "fooddb_flavor_profile": "caramel@sweet@maple", "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": "FDB016007", "flavornet_id": 0, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "caramel@sweet@maple"}