1.0 2010-04-08 22:09:22 UTC 2019-11-26 03:04:17 UTC FDB010914 Benzofuran Benzofuran 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-Benzofuran 1-Oxaindene 1-Oxidene 1-Oxindene 2,3-Benzofuran Benzo(b)furan Benzo[b]furan Benzofuran (iupac) Benzofurfuran BZF Coumaron Coumarone Cumaron Cumarone C8H6O 118.1326 118.041864814 1-benzofuran benzofuran 271-89-6 O1C=CC2=C1C=CC=C2 InChI=1S/C8H6O/c1-2-4-8-7(3-1)5-6-9-8/h1-6H IANQTJSKSUMEQM-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 Benzenoids Furans Heteroaromatic compounds Hydrocarbon derivatives Organooxygen compounds Oxacyclic compounds Aromatic heteropolycyclic compound Benzenoid Benzofuran Furan Heteroaromatic compound Hydrocarbon derivative Organic oxygen compound Organooxygen compound Oxacycle 1-benzofurans benzofuran Liquid logp 2.75 ALOGPS logs -2.16 ALOGPS solubility 8.15e-01 g/l ALOGPS melting_point <-18 oC logp 2.13 ChemAxon pka_strongest_basic -2.9 ChemAxon iupac 1-benzofuran ChemAxon average_mass 118.1326 ChemAxon mono_mass 118.041864814 ChemAxon smiles O1C=CC2=C1C=CC=C2 ChemAxon formula C8H6O ChemAxon inchi InChI=1S/C8H6O/c1-2-4-8-7(3-1)5-6-9-8/h1-6H ChemAxon inchikey IANQTJSKSUMEQM-UHFFFAOYSA-N ChemAxon polar_surface_area 13.14 ChemAxon refractivity 34.9 ChemAxon polarizability 12.33 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 0 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::EiMs 1226 Specdb::CMs 29913 Specdb::CMs 101273 Specdb::CMs 162819 Specdb::NmrOneD 2312 Specdb::NmrOneD 3016 Specdb::MsIr 5802 Specdb::MsIr 5803 Specdb::MsMs 108192 Specdb::MsMs 108193 Specdb::MsMs 108194 Specdb::MsMs 175353 Specdb::MsMs 175354 Specdb::MsMs 175355 Specdb::MsMs 2744127 Specdb::MsMs 2744128 Specdb::MsMs 2744129 Specdb::MsMs 2934902 Specdb::MsMs 2934903 Specdb::MsMs 2934904 HMDB32929 35260 BZF #<Reference:0x000055ce32aa3998> #<Reference:0x000055ce32aa37e0> Alcoholic beverages Unknown generic Arabica coffee Type 1 specific Coffea arabica 13443 Black tea Type 1 Coffee and coffee products Unknown generic Green tea Type 1 Herbal tea Type 1 Herbs and Spices Unknown generic Red tea Type 1 Robusta coffee Type 1 specific Coffea canephora 49390 Root vegetables Unknown generic Tea Type 1 specific Camellia sinensis 4442