1.0 2010-04-08 22:09:17 UTC 2018-05-28 22:24:44 UTC FDB010745 3-Hydroxy-carbofuran Metabolite of Carbofuran in plants, insects and mammals. 2,3-Dihydro-2,2-dimethyl-3,7-benzofurandiol 7-(methylcarbamate) 3-hydroxycarbofuran Carbofuran 3-oh Carbofuran-3-hydroxy Carbofuran, 3-hydroxy C12H15NO4 237.2518 237.100107973 1-[(3-hydroxy-2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl)oxy]-N-methylmethanimidic acid 1-[(3-hydroxy-2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-methylmethanimidic acid 16655-82-6 CN=C(O)OC1=CC=CC2=C1OC(C)(C)C2O InChI=1S/C12H15NO4/c1-12(2)10(14)7-5-4-6-8(9(7)17-12)16-11(15)13-3/h4-6,10,14H,1-3H3,(H,13,15) RHSUJRQZTQNSLL-UHFFFAOYSA-N belongs to the class of organic compounds known as coumarans. Coumarans are compounds containing the coumaran skeleton, which consists of a benzene ring fused to a 2,3-dihydrofuran ring. Coumarans Organic compounds Organoheterocyclic compounds Coumarans Aromatic heteropolycyclic compounds Alkyl aryl ethers Benzenoids Carbamate esters Carbonyl compounds Hydrocarbon derivatives Organic carbonic acids and derivatives Organic oxides Organonitrogen compounds Organopnictogen compounds Oxacyclic compounds Secondary alcohols Alcohol Alkyl aryl ether Aromatic heteropolycyclic compound Benzenoid Carbamic acid ester Carbonic acid derivative Carbonyl group Coumaran Ether Hydrocarbon derivative Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Oxacycle Secondary alcohol logp 1.65 ALOGPS logs -2.54 ALOGPS solubility 6.78e-01 g/l ALOGPS melting_point Mp 138-140° logp 1.7 ChemAxon pka_strongest_acidic 3.6 ChemAxon pka_strongest_basic 1.97 ChemAxon iupac 1-[(3-hydroxy-2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl)oxy]-N-methylmethanimidic acid ChemAxon average_mass 237.2518 ChemAxon mono_mass 237.100107973 ChemAxon smiles CN=C(O)OC1=CC=CC2=C1OC(C)(C)C2O ChemAxon formula C12H15NO4 ChemAxon inchi InChI=1S/C12H15NO4/c1-12(2)10(14)7-5-4-6-8(9(7)17-12)16-11(15)13-3/h4-6,10,14H,1-3H3,(H,13,15) ChemAxon inchikey RHSUJRQZTQNSLL-UHFFFAOYSA-N ChemAxon polar_surface_area 71.28 ChemAxon refractivity 61.32 ChemAxon polarizability 24.11 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 5 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::EiMs 944 Specdb::CMs 12307 Specdb::CMs 42957 Specdb::CMs 138041 Specdb::CMs 145775 Specdb::MsMs 62601 Specdb::MsMs 62602 Specdb::MsMs 62603 Specdb::MsMs 119355 Specdb::MsMs 119356 Specdb::MsMs 119357 Specdb::MsMs 2691569 Specdb::MsMs 2691570 Specdb::MsMs 2691571 Specdb::MsMs 2991185 Specdb::MsMs 2991186 Specdb::MsMs 2991187 HMDB32775 #<Reference:0x000055ce32287b60>