1.0 2010-04-08 22:09:16 UTC 2019-11-26 03:04:02 UTC FDB010722 Methyl 1-methoxy-1H-indole-3-carboxylate Production by Japanese horseradish (Wasabia japonica). Methyl 1-methoxy-1H-indole-3-carboxylate is found in herbs and spices. Methyl 1-methoxy-1H-indole-3-carboxylate C11H11NO3 205.2099 205.073893223 methyl 1-methoxy-1H-indole-3-carboxylate methyl 1-methoxyindole-3-carboxylate 18377-50-9 CON1C=C(C(=O)OC)C2=CC=CC=C12 InChI=1S/C11H11NO3/c1-14-11(13)9-7-12(15-2)10-6-4-3-5-8(9)10/h3-7H,1-2H3 JAAYVMHPQAMBJS-UHFFFAOYSA-N belongs to the class of organic compounds known as indolecarboxylic acids and derivatives. Indolecarboxylic acids and derivatives are compounds containing a carboxylic acid group (or a derivative thereof) linked to an indole. Indolecarboxylic acids and derivatives Organic compounds Organoheterocyclic compounds Indoles and derivatives Indolecarboxylic acids and derivatives Aromatic heteropolycyclic compounds Azacyclic compounds Benzenoids Heteroaromatic compounds Hydrocarbon derivatives Indoles Methyl esters Monocarboxylic acids and derivatives Organic oxides Organonitrogen compounds Organooxygen compounds Organopnictogen compounds Pyrrole carboxylic acids and derivatives Substituted pyrroles Vinylogous amides Aromatic heteropolycyclic compound Azacycle Benzenoid Carboxylic acid derivative Carboxylic acid ester Heteroaromatic compound Hydrocarbon derivative Indole Indolecarboxylic acid derivative Methyl ester Monocarboxylic acid or derivatives Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Pyrrole Pyrrole-3-carboxylic acid or derivatives Substituted pyrrole Vinylogous amide logp 2.27 ALOGPS logs -2.38 ALOGPS solubility 8.47e-01 g/l ALOGPS melting_point Mp 40-41° logp 1.78 ChemAxon pka_strongest_basic -4.6 ChemAxon iupac methyl 1-methoxy-1H-indole-3-carboxylate ChemAxon average_mass 205.2099 ChemAxon mono_mass 205.073893223 ChemAxon smiles CON1C=C(C(=O)OC)C2=CC=CC=C12 ChemAxon formula C11H11NO3 ChemAxon inchi InChI=1S/C11H11NO3/c1-14-11(13)9-7-12(15-2)10-6-4-3-5-8(9)10/h3-7H,1-2H3 ChemAxon inchikey JAAYVMHPQAMBJS-UHFFFAOYSA-N ChemAxon polar_surface_area 40.46 ChemAxon refractivity 56.83 ChemAxon polarizability 21.18 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 2 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 5725 Specdb::MsIr 5726 Specdb::CMs 11846 Specdb::CMs 166245 Specdb::MsMs 93690 Specdb::MsMs 93691 Specdb::MsMs 93692 Specdb::MsMs 157509 Specdb::MsMs 157510 Specdb::MsMs 157511 Specdb::MsMs 2409739 Specdb::MsMs 2409740 Specdb::MsMs 2409741 Specdb::MsMs 2555467 Specdb::MsMs 2555468 Specdb::MsMs 2555469 HMDB32755 #<Reference:0x000055ce3301fd68> Herbs and Spices Unknown generic