1.0 2010-04-08 22:10:54 UTC 2025-11-19 00:35:14 UTC FDB013781 Chrycolide Isolated from Chrysanthemum coronarium (chop-suey greens) whole plant. Chrycolide is found in herbs and spices. 7-Hydroxy-3-(2-thienyl)-1(3H)-isobenzofuranone, 9CI C12H8O3S 232.255 232.019414812 7-hydroxy-3-(thiophen-2-yl)-1,3-dihydro-2-benzofuran-1-one 7-hydroxy-3-(thiophen-2-yl)-3H-2-benzofuran-1-one 91362-91-3 OC1=CC=CC2=C1C(=O)OC2C1=CC=CS1 InChI=1S/C12H8O3S/c13-8-4-1-3-7-10(8)12(14)15-11(7)9-5-2-6-16-9/h1-6,11,13H CLGIBOHWUJNNKL-UHFFFAOYSA-N belongs to the class of organic compounds known as benzofuranones. These are organic compounds containing a benzene ring fused to a furanone. Benzofuranones Organic compounds Organoheterocyclic compounds Benzofurans Benzofuranones Aromatic heteropolycyclic compounds 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Carboxylic acid esters Heteroaromatic compounds Hydrocarbon derivatives Lactones Monocarboxylic acids and derivatives Organic oxides Organooxygen compounds Oxacyclic compounds Phthalides Thiophenes Vinylogous acids 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid Aromatic heteropolycyclic compound Benzenoid Benzofuranone Carboxylic acid derivative Carboxylic acid ester Heteroaromatic compound Hydrocarbon derivative Isobenzofuranone Isocoumaran Lactone Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Oxacycle Phthalide Thiophene Vinylogous acid logp 3.25 ALOGPS logs -2.99 ALOGPS solubility 2.38e-01 g/l ALOGPS melting_point Mp 115-116° logp 3.57 ChemAxon pka_strongest_acidic 9.55 ChemAxon pka_strongest_basic -4.3 ChemAxon iupac 7-hydroxy-3-(thiophen-2-yl)-1,3-dihydro-2-benzofuran-1-one ChemAxon average_mass 232.255 ChemAxon mono_mass 232.019414812 ChemAxon smiles OC1=CC=CC2=C1C(=O)OC2C1=CC=CS1 ChemAxon formula C12H8O3S ChemAxon inchi InChI=1S/C12H8O3S/c13-8-4-1-3-7-10(8)12(14)15-11(7)9-5-2-6-16-9/h1-6,11,13H ChemAxon inchikey CLGIBOHWUJNNKL-UHFFFAOYSA-N ChemAxon polar_surface_area 46.53 ChemAxon refractivity 59.79 ChemAxon polarizability 22.35 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 11956 Specdb::CMs 44219 Specdb::CMs 137779 Specdb::CMs 145513 Specdb::MsMs 101733 Specdb::MsMs 101734 Specdb::MsMs 101735 Specdb::MsMs 167400 Specdb::MsMs 167401 Specdb::MsMs 167402 Specdb::MsMs 3053099 Specdb::MsMs 3053100 Specdb::MsMs 3053101 Specdb::MsMs 3114242 Specdb::MsMs 3114243 Specdb::MsMs 3114244 HMDB35145 #<Reference:0x000055ce316bcc18> Herbs and Spices Unknown generic