1.02010-04-08 22:09:31 UTC2015-07-20 22:38:47 UTCFDB0111942-BenzofurancarboxaldehydeFlavouring ingredient1-benzofuran-2-carbaldehyde2-Benzofurancarbaldehyde2-FormylbenzofuranBenzo(b)-2-furfuralBenzofuran-2-aldehydeBenzofuran-2-carbaldehydeBenzofuran-2-carboxaldehydeCoumarilaldehydeFEMA 3128nchem.328-comp4cC9H6O2146.1427146.0367794361-benzofuran-2-carbaldehyde1-benzofuran-2-carbaldehyde4265-16-1O=CC1=CC2=CC=CC=C2O1InChI=1S/C9H6O2/c10-6-8-5-7-3-1-2-4-9(7)11-8/h1-6HADDZHRRCUWNSCS-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 compoundsAryl-aldehydesBenzenoidsFuransHeteroaromatic compoundsHydrocarbon derivativesOrganic oxidesOxacyclic compoundsAldehydeAromatic heteropolycyclic compoundAryl-aldehydeBenzenoidBenzofuranFuranHeteroaromatic compoundHydrocarbon derivativeOrganic oxideOrganic oxygen compoundOrganooxygen compoundOxacyclelogp1.85logs-2.47solubility4.94e-01 g/llogp1.76pka_strongest_basic-4.4iupac1-benzofuran-2-carbaldehydeaverage_mass146.1427mono_mass146.036779436smilesO=CC1=CC2=CC=CC=C2O1formulaC9H6O2inchiInChI=1S/C9H6O2/c10-6-8-5-7-3-1-2-4-9(7)11-8/h1-6HinchikeyADDZHRRCUWNSCS-UHFFFAOYSA-Npolar_surface_area30.21refractivity41.36polarizability14.74rotatable_bond_count1acceptor_count1donor_count0physiological_charge0formal_charge0Specdb::MsIr6030Specdb::MsIr6031Specdb::CMs11466Specdb::CMs135164Specdb::CMs142898Specdb::MsMs97878Specdb::MsMs97879Specdb::MsMs97880Specdb::MsMs162681Specdb::MsMs162682Specdb::MsMs162683Specdb::MsMs2784724Specdb::MsMs2784725Specdb::MsMs2784726Specdb::MsMs2921473Specdb::MsMs2921474Specdb::MsMs2921475HMDB33183#<Reference:0x0000555675e029e8>almondbitter