1.0 2010-04-08 22:13:44 UTC 2019-11-26 03:16:12 UTC FDB018477 Methyl 5-hydroxyoxindole-3-acetate Isolated from rice bran. Methyl 5-hydroxyoxindole-3-acetate is found in cereals and cereal products. Methyl 5-hydroxy-2-oxo-1H-indole-3-acetate Methyl 5-hydroxyoxindole-3-acetate C11H11NO4 221.2093 221.068807845 methyl 2-(5-hydroxy-2-oxo-2,3-dihydro-1H-indol-3-yl)acetate methyl 2-(5-hydroxy-2-oxo-1,3-dihydroindol-3-yl)acetate COC(=O)CC1C(=O)NC2=CC=C(O)C=C12 InChI=1S/C11H11NO4/c1-16-10(14)5-8-7-4-6(13)2-3-9(7)12-11(8)15/h2-4,8,13H,5H2,1H3,(H,12,15) PQPVNWBNDOFPBO-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 1-hydroxy-2-unsubstituted benzenoid 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 logp 1.08 ALOGPS logs -1.84 ALOGPS solubility 3.17e+00 g/l ALOGPS logp 0.58 ChemAxon pka_strongest_acidic 9.36 ChemAxon pka_strongest_basic -5.5 ChemAxon iupac methyl 2-(5-hydroxy-2-oxo-2,3-dihydro-1H-indol-3-yl)acetate ChemAxon average_mass 221.2093 ChemAxon mono_mass 221.068807845 ChemAxon smiles COC(=O)CC1C(=O)NC2=CC=C(O)C=C12 ChemAxon formula C11H11NO4 ChemAxon inchi InChI=1S/C11H11NO4/c1-16-10(14)5-8-7-4-6(13)2-3-9(7)12-11(8)15/h2-4,8,13H,5H2,1H3,(H,12,15) ChemAxon inchikey PQPVNWBNDOFPBO-UHFFFAOYSA-N ChemAxon polar_surface_area 75.63 ChemAxon refractivity 57.18 ChemAxon polarizability 21.61 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 3 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 17790 Specdb::CMs 46191 Specdb::CMs 162559 Specdb::NmrOneD 30542 Specdb::NmrOneD 30543 Specdb::NmrOneD 30544 Specdb::NmrOneD 30545 Specdb::NmrOneD 30546 Specdb::NmrOneD 30547 Specdb::NmrOneD 30548 Specdb::NmrOneD 30549 Specdb::NmrOneD 30550 Specdb::NmrOneD 30551 Specdb::NmrOneD 30552 Specdb::NmrOneD 30553 Specdb::NmrOneD 30554 Specdb::NmrOneD 30555 Specdb::NmrOneD 30556 Specdb::NmrOneD 30557 Specdb::NmrOneD 30558 Specdb::NmrOneD 30559 Specdb::NmrOneD 30560 Specdb::NmrOneD 30561 Specdb::MsMs 101022 Specdb::MsMs 101023 Specdb::MsMs 101024 Specdb::MsMs 166515 Specdb::MsMs 166516 Specdb::MsMs 166517 Specdb::MsMs 2662306 Specdb::MsMs 2662307 Specdb::MsMs 2662308 Specdb::MsMs 3020403 Specdb::MsMs 3020404 Specdb::MsMs 3020405 HMDB38990 #<Reference:0x000055ce3236f7f8> Breakfast cereal Type 2 specific Cereals and cereal products Unknown generic