{"pubchem_id": 19188, "iupac_name": "2-phenoxyacetic acid", "common_name": "Phenoxyacetic Acid", "smile": "C1=CC=C(C=C1)OCC(=O)O", "molecular_weight": 152.149, "hbd_count": 1, "hba_count": 3, "num_rotatablebonds": 3, "complexity": 127.0, "topological_polor_surfacearea": 46.5, "monoisotopic_mass": 152.047, "exact_mass": 152.047, "xlogp": "1.3", "charge": 0, "heavy_atom_count": 11, "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": "122-59-8", "fema_number": "2872", "fema_flavor_profile": null, "odor": null, "taste": null, "functional_groups": "ether@alkyl aryl ether@carboxylic acid derivative@carboxylic acid@aromatic compound", "inchi": "InChI=1S/C8H8O3/c9-8(10)6-11-7-4-2-1-3-5-7/h1-5H,6H2,(H,9,10)", "volume3d": "119.6", "fooddb_flavor_profile": "sour@sweet", "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": "FDB008245", "flavornet_id": 0, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "sour@sweet"}