1.0 2010-04-08 22:13:42 UTC 2019-11-26 03:16:08 UTC FDB018418 Methyl 2,3-dihydro-3,5-dihydroxy-2-oxo-3-indoleacetic acid Constituent of rice bran. Methyl 2,3-dihydro-3,5-dihydroxy-2-oxo-3-indoleacetic acid is found in cereals and cereal products. Methyl 2,3-dihydro-3,5-dihydroxy-2-oxo-3-indoleacetic acid C11H11NO5 237.2087 237.063722467 methyl 2-(3,5-dihydroxy-2-oxo-2,3-dihydro-1H-indol-3-yl)acetate methyl 2-(3,5-dihydroxy-2-oxo-1H-indol-3-yl)acetate 57061-18-4 COC(=O)CC1(O)C(=O)NC2=C1C=C(O)C=C2 InChI=1S/C11H11NO5/c1-17-9(14)5-11(16)7-4-6(13)2-3-8(7)12-10(11)15/h2-4,13,16H,5H2,1H3,(H,12,15) YPPHXVJCTQPTBV-UHFFFAOYSA-N belongs to the class of organic compounds known as indolyl carboxylic acids and derivatives. Indolyl carboxylic acids and derivatives are compounds containing a carboxylic acid chain (of at least 2 carbon atoms) linked to an indole ring. Indolyl carboxylic acids and derivatives Organic compounds Organoheterocyclic compounds Indoles and derivatives Indolyl carboxylic acids and derivatives Aromatic heteropolycyclic compounds 1-hydroxy-2-unsubstituted benzenoids Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Indoles Indolines Lactams Methyl esters Monocarboxylic acids and derivatives Organic oxides Organonitrogen compounds Organopnictogen compounds Secondary carboxylic acid amides Tertiary alcohols 1-hydroxy-2-unsubstituted benzenoid Alcohol Aromatic heteropolycyclic compound Azacycle Benzenoid Carbonyl group Carboxamide group Carboxylic acid derivative Carboxylic acid ester Dihydroindole Hydrocarbon derivative Indole Indolyl carboxylic acid derivative Lactam Methyl ester Monocarboxylic acid or derivatives Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Secondary carboxylic acid amide Tertiary alcohol logp 0.54 ALOGPS logs -1.47 ALOGPS solubility 8.10e+00 g/l ALOGPS melting_point Mp 78-80° logp -0.0098 ChemAxon pka_strongest_acidic 9.25 ChemAxon pka_strongest_basic -4.3 ChemAxon iupac methyl 2-(3,5-dihydroxy-2-oxo-2,3-dihydro-1H-indol-3-yl)acetate ChemAxon average_mass 237.2087 ChemAxon mono_mass 237.063722467 ChemAxon smiles COC(=O)CC1(O)C(=O)NC2=C1C=C(O)C=C2 ChemAxon formula C11H11NO5 ChemAxon inchi InChI=1S/C11H11NO5/c1-17-9(14)5-11(16)7-4-6(13)2-3-8(7)12-10(11)15/h2-4,13,16H,5H2,1H3,(H,12,15) ChemAxon inchikey YPPHXVJCTQPTBV-UHFFFAOYSA-N ChemAxon polar_surface_area 95.86 ChemAxon refractivity 58.42 ChemAxon polarizability 22.52 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 4 ChemAxon donor_count 3 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 15861 Specdb::CMs 46164 Specdb::CMs 152567 Specdb::MsMs 77460 Specdb::MsMs 77461 Specdb::MsMs 77462 Specdb::MsMs 137595 Specdb::MsMs 137596 Specdb::MsMs 137597 Specdb::MsMs 2382356 Specdb::MsMs 2382357 Specdb::MsMs 2382358 Specdb::MsMs 2579937 Specdb::MsMs 2579938 Specdb::MsMs 2579939 Specdb::NmrOneD 30182 Specdb::NmrOneD 30183 Specdb::NmrOneD 30184 Specdb::NmrOneD 30185 Specdb::NmrOneD 30186 Specdb::NmrOneD 30187 Specdb::NmrOneD 30188 Specdb::NmrOneD 30189 Specdb::NmrOneD 30190 Specdb::NmrOneD 30191 Specdb::NmrOneD 30192 Specdb::NmrOneD 30193 Specdb::NmrOneD 30194 Specdb::NmrOneD 30195 Specdb::NmrOneD 30196 Specdb::NmrOneD 30197 Specdb::NmrOneD 30198 Specdb::NmrOneD 30199 Specdb::NmrOneD 30200 Specdb::NmrOneD 30201 HMDB38942 #<Reference:0x000055ce31ecc7c8> Breakfast cereal Type 2 specific Cereals and cereal products Unknown generic