1.0 2010-04-08 22:09:31 UTC 2015-07-20 22:38:47 UTC FDB011194 2-Benzofurancarboxaldehyde Flavouring ingredient 1-benzofuran-2-carbaldehyde 2-Benzofurancarbaldehyde 2-Formylbenzofuran Benzo(b)-2-furfural Benzofuran-2-aldehyde Benzofuran-2-carbaldehyde Benzofuran-2-carboxaldehyde Coumarilaldehyde FEMA 3128 nchem.328-comp4c C9H6O2 146.1427 146.036779436 1-benzofuran-2-carbaldehyde 1-benzofuran-2-carbaldehyde 4265-16-1 O=CC1=CC2=CC=CC=C2O1 InChI=1S/C9H6O2/c10-6-8-5-7-3-1-2-4-9(7)11-8/h1-6H ADDZHRRCUWNSCS-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. Benzofurans Organic compounds Organoheterocyclic compounds Benzofurans Aromatic heteropolycyclic compounds Aryl-aldehydes Benzenoids Furans Heteroaromatic compounds Hydrocarbon derivatives Organic oxides Oxacyclic compounds Aldehyde Aromatic heteropolycyclic compound Aryl-aldehyde Benzenoid Benzofuran Furan Heteroaromatic compound Hydrocarbon derivative Organic oxide Organic oxygen compound Organooxygen compound Oxacycle logp 1.85 ALOGPS logs -2.47 ALOGPS solubility 4.94e-01 g/l ALOGPS logp 1.76 ChemAxon pka_strongest_basic -4.4 ChemAxon iupac 1-benzofuran-2-carbaldehyde ChemAxon average_mass 146.1427 ChemAxon mono_mass 146.036779436 ChemAxon smiles O=CC1=CC2=CC=CC=C2O1 ChemAxon formula C9H6O2 ChemAxon inchi InChI=1S/C9H6O2/c10-6-8-5-7-3-1-2-4-9(7)11-8/h1-6H ChemAxon inchikey ADDZHRRCUWNSCS-UHFFFAOYSA-N ChemAxon polar_surface_area 30.21 ChemAxon refractivity 41.36 ChemAxon polarizability 14.74 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 11466 Specdb::CMs 135164 Specdb::CMs 142898 Specdb::MsIr 6030 Specdb::MsIr 6031 Specdb::MsMs 97878 Specdb::MsMs 97879 Specdb::MsMs 97880 Specdb::MsMs 162681 Specdb::MsMs 162682 Specdb::MsMs 162683 Specdb::MsMs 2784724 Specdb::MsMs 2784725 Specdb::MsMs 2784726 Specdb::MsMs 2921473 Specdb::MsMs 2921474 Specdb::MsMs 2921475 HMDB33183 #<Reference:0x000055ce324b02c0> almond bitter