1.02010-04-08 22:13:40 UTC2018-05-29 01:36:13 UTCFDB0183553,6-Dimethyl-2(3H)-benzofuranoneIt is used as a food additive FEMA 3863FuramintonC10H10O2162.1852162.0680795643,6-dimethyl-2,3-dihydro-1-benzofuran-2-one3,6-dimethyl-3H-1-benzofuran-2-one65817-24-5CC1C(=O)OC2=C1C=CC(C)=C2InChI=1S/C10H10O2/c1-6-3-4-8-7(2)10(11)12-9(8)5-6/h3-5,7H,1-2H3JSJKAEKKWQOCEZ-UHFFFAOYSA-N belongs to the class of organic compounds known as benzofurans. These are organic compounds containing a benzene ring fused to a furan. Furan is a five-membered aromatic ring with four carbon atoms and one oxygen atom.BenzofuransOrganic compoundsOrganoheterocyclic compoundsBenzofuransAromatic heteropolycyclic compoundsBenzenoidsCarbonyl compoundsCarboxylic acid estersCoumaransHydrocarbon derivativesLactonesMonocarboxylic acids and derivativesOrganic oxidesOxacyclic compoundsAromatic heteropolycyclic compoundBenzenoidBenzofuranCarbonyl groupCarboxylic acid derivativeCarboxylic acid esterCoumaranHydrocarbon derivativeLactoneMonocarboxylic acid or derivativesOrganic oxideOrganic oxygen compoundOrganooxygen compoundOxacyclelogp2.58logs-2.40solubility6.51e-01 g/llogp2.5pka_strongest_acidic11.89pka_strongest_basic-7.3iupac3,6-dimethyl-2,3-dihydro-1-benzofuran-2-oneaverage_mass162.1852mono_mass162.068079564smilesCC1C(=O)OC2=C1C=CC(C)=C2formulaC10H10O2inchiInChI=1S/C10H10O2/c1-6-3-4-8-7(2)10(11)12-9(8)5-6/h3-5,7H,1-2H3inchikeyJSJKAEKKWQOCEZ-UHFFFAOYSA-Npolar_surface_area26.3refractivity45.47polarizability17.36rotatable_bond_count0acceptor_count1donor_count0physiological_charge0formal_charge0Specdb::MsIr8043Specdb::MsIr8044Specdb::CMs13920Specdb::CMs159542Specdb::MsMs63765Specdb::MsMs63766Specdb::MsMs63767Specdb::MsMs120765Specdb::MsMs120766Specdb::MsMs120767Specdb::MsMs2436067Specdb::MsMs2436068Specdb::MsMs2436069Specdb::MsMs2526117Specdb::MsMs2526118Specdb::MsMs2526119coconut