1.0 2010-04-08 22:10:54 UTC 2019-11-26 03:09:03 UTC FDB013786 Chrycorin Isolated from Chrysanthemum coronarium (chop-suey greens). Chrycorin is found in herbs and spices. 3,4,7,7a-Tetrahydro-5-(2-thienyl)cyclopenta[b]pyran-6(2H)-one, 9CI C12H12O2S 220.287 220.055800318 5-(thiophen-2-yl)-2H,3H,4H,6H,7H,7aH-cyclopenta[b]pyran-6-one 5-(thiophen-2-yl)-2H,3H,4H,7H,7aH-cyclopenta[b]pyran-6-one 91362-90-2 O=C1CC2OCCCC2=C1C1=CC=CS1 InChI=1S/C12H12O2S/c13-9-7-10-8(3-1-5-14-10)12(9)11-4-2-6-15-11/h2,4,6,10H,1,3,5,7H2 FCVWHDAKNZMSON-UHFFFAOYSA-N belongs to the class of organic compounds known as oxanes. Oxanes are compounds containing an oxane (tetrahydropyran) ring, which is a six-member saturated aliphatic heterocycle with one oxygen atom and five carbon atoms. Oxanes Organic compounds Organoheterocyclic compounds Oxanes Aromatic heteropolycyclic compounds Cyclic ketones Dialkyl ethers Heteroaromatic compounds Hydrocarbon derivatives Organic oxides Oxacyclic compounds Thiophenes Aromatic heteropolycyclic compound Carbonyl group Cyclic ketone Dialkyl ether Ether Heteroaromatic compound Hydrocarbon derivative Ketone Organic oxide Organic oxygen compound Organooxygen compound Oxacycle Oxane Thiophene logp 2.26 ALOGPS logs -2.87 ALOGPS solubility 2.95e-01 g/l ALOGPS melting_point Mp 71-72° logp 2.41 ChemAxon pka_strongest_acidic 17.99 ChemAxon pka_strongest_basic -4.2 ChemAxon iupac 5-(thiophen-2-yl)-2H,3H,4H,6H,7H,7aH-cyclopenta[b]pyran-6-one ChemAxon average_mass 220.287 ChemAxon mono_mass 220.055800318 ChemAxon smiles O=C1CC2OCCCC2=C1C1=CC=CS1 ChemAxon formula C12H12O2S ChemAxon inchi InChI=1S/C12H12O2S/c13-9-7-10-8(3-1-5-14-10)12(9)11-4-2-6-15-11/h2,4,6,10H,1,3,5,7H2 ChemAxon inchikey FCVWHDAKNZMSON-UHFFFAOYSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 59.35 ChemAxon polarizability 23.22 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 2 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 12365 Specdb::CMs 150516 Specdb::MsMs 10433 Specdb::MsMs 10434 Specdb::MsMs 10435 Specdb::MsMs 17105 Specdb::MsMs 17106 Specdb::MsMs 17107 Specdb::MsMs 2435968 Specdb::MsMs 2435969 Specdb::MsMs 2435970 Specdb::MsMs 2526204 Specdb::MsMs 2526205 Specdb::MsMs 2526206 HMDB35149 #<Reference:0x000055ce304af9f8> Herbs and Spices Unknown generic