1.0 2010-04-08 22:15:19 UTC 2015-07-21 06:48:48 UTC FDB020871 7-Methyl-2-benzofurancarboxaldehyde Flavour enhancer for coffee C10H8O2 160.1693 160.0524295 7-methyl-1-benzofuran-2-carbaldehyde 7-methyl-1-benzofuran-2-carbaldehyde 57897-70-8 CC1=C2OC(C=O)=CC2=CC=C1 InChI=1S/C10H8O2/c1-7-3-2-4-8-5-9(6-11)12-10(7)8/h2-6H,1H3 JXPVJVSXZDJGIZ-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 2.14 ALOGPS logs -3.09 ALOGPS solubility 1.29e-01 g/l ALOGPS melting_point Mp 58-59° logp 2.28 ChemAxon pka_strongest_basic -4.4 ChemAxon iupac 7-methyl-1-benzofuran-2-carbaldehyde ChemAxon average_mass 160.1693 ChemAxon mono_mass 160.0524295 ChemAxon smiles CC1=C2OC(C=O)=CC2=CC=C1 ChemAxon formula C10H8O2 ChemAxon inchi InChI=1S/C10H8O2/c1-7-3-2-4-8-5-9(6-11)12-10(7)8/h2-6H,1H3 ChemAxon inchikey JXPVJVSXZDJGIZ-UHFFFAOYSA-N ChemAxon polar_surface_area 30.21 ChemAxon refractivity 46.4 ChemAxon polarizability 16.83 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 26504 Specdb::CMs 136870 Specdb::CMs 144604 Specdb::MsIr 9117 Specdb::MsIr 9118 Specdb::MsMs 324757 Specdb::MsMs 324758 Specdb::MsMs 324759 Specdb::MsMs 373240 Specdb::MsMs 373241 Specdb::MsMs 373242 Specdb::MsMs 2671290 Specdb::MsMs 2671291 Specdb::MsMs 2671292 Specdb::MsMs 3011019 Specdb::MsMs 3011020 Specdb::MsMs 3011021 HMDB41009 #<Reference:0x000055ce33310b80>