1.02010-04-08 22:09:22 UTC2019-11-26 03:04:17 UTCFDB010914BenzofuranBenzofuran is a Maillard product. It is a heterocyclic compound consisting of fused benzene and furan rings. It is the parent of many related compounds with more complex structures. For example, psoralen is a benzofuran derivative that occurs in several plants. It is found in many foods, some of which are herbs and spices, tea, alcoholic beverages, and coffee and coffee products.1-Benzofuran1-Oxaindene1-Oxidene1-Oxindene2,3-BenzofuranBenzo(b)furanBenzo[b]furanBenzofuran (iupac)BenzofurfuranBZFCoumaronCoumaroneCumaronCumaroneC8H6O118.1326118.0418648141-benzofuranbenzofuran271-89-6O1C=CC2=C1C=CC=C2InChI=1S/C8H6O/c1-2-4-8-7(3-1)5-6-9-8/h1-6HIANQTJSKSUMEQM-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 compoundsBenzenoidsFuransHeteroaromatic compoundsHydrocarbon derivativesOrganooxygen compoundsOxacyclic compoundsAromatic heteropolycyclic compoundBenzenoidBenzofuranFuranHeteroaromatic compoundHydrocarbon derivativeOrganic oxygen compoundOrganooxygen compoundOxacycle1-benzofuransbenzofuranLiquidlogp2.75logs-2.16solubility8.15e-01 g/lmelting_point<-18 oClogp2.13pka_strongest_basic-2.9iupac1-benzofuranaverage_mass118.1326mono_mass118.041864814smilesO1C=CC2=C1C=CC=C2formulaC8H6OinchiInChI=1S/C8H6O/c1-2-4-8-7(3-1)5-6-9-8/h1-6HinchikeyIANQTJSKSUMEQM-UHFFFAOYSA-Npolar_surface_area13.14refractivity34.9polarizability12.33rotatable_bond_count0acceptor_count0donor_count0physiological_charge0formal_charge0Specdb::CMs29913Specdb::CMs101273Specdb::CMs162819Specdb::EiMs1226Specdb::MsIr5802Specdb::MsIr5803Specdb::NmrOneD2312Specdb::NmrOneD3016Specdb::MsMs108192Specdb::MsMs108193Specdb::MsMs108194Specdb::MsMs175353Specdb::MsMs175354Specdb::MsMs175355Specdb::MsMs2744127Specdb::MsMs2744128Specdb::MsMs2744129Specdb::MsMs2934902Specdb::MsMs2934903Specdb::MsMs2934904HMDB3292935260BZF#<Reference:0x0000555674df7ee0>#<Reference:0x0000555674df7cb0>Alcoholic beveragesUnknowngenericArabica coffeeType 1specificCoffea arabica13443Black teaType 1Coffee and coffee productsUnknowngenericGreen teaType 1Herbal teaType 1Herbs and SpicesUnknowngenericRed teaType 1Robusta coffeeType 1specificCoffea canephora49390Root vegetablesUnknowngenericTeaType 1specificCamellia sinensis4442