1.0 2010-04-08 22:13:44 UTC 2019-11-26 03:16:13 UTC FDB018479 Methyl dioxindole-3-acetate Isolated from rice bran. Methyl dioxindole-3-acetate is found in cereals and cereal products. Methyl dioxindole-3-acetate C11H11NO4 221.2093 221.068807845 methyl 2-(3-hydroxy-2-oxo-2,3-dihydro-1H-indol-3-yl)acetate methyl 2-(3-hydroxy-2-oxo-1H-indol-3-yl)acetate COC(=O)CC1(O)C(=O)NC2=CC=CC=C12 InChI=1S/C11H11NO4/c1-16-9(13)6-11(15)7-4-2-3-5-8(7)12-10(11)14/h2-5,15H,6H2,1H3,(H,12,14) BHWUWPHGCCRYBU-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 Azacyclic compounds Benzenoids 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 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 0.29 ALOGPS logs -1.94 ALOGPS solubility 2.52e+00 g/l ALOGPS logp 0.29 ChemAxon pka_strongest_acidic 11.49 ChemAxon pka_strongest_basic -4.3 ChemAxon iupac methyl 2-(3-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)CC1(O)C(=O)NC2=CC=CC=C12 ChemAxon formula C11H11NO4 ChemAxon inchi InChI=1S/C11H11NO4/c1-16-9(13)6-11(15)7-4-2-3-5-8(7)12-10(11)14/h2-5,15H,6H2,1H3,(H,12,14) ChemAxon inchikey BHWUWPHGCCRYBU-UHFFFAOYSA-N ChemAxon polar_surface_area 75.63 ChemAxon refractivity 56.44 ChemAxon polarizability 21.33 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 3 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 22339 Specdb::CMs 46192 Specdb::CMs 134509 Specdb::CMs 142243 Specdb::MsMs 7883 Specdb::MsMs 7884 Specdb::MsMs 7885 Specdb::MsMs 14555 Specdb::MsMs 14556 Specdb::MsMs 14557 Specdb::MsMs 2409790 Specdb::MsMs 2409791 Specdb::MsMs 2409792 Specdb::MsMs 2555362 Specdb::MsMs 2555363 Specdb::MsMs 2555364 Specdb::NmrOneD 30562 Specdb::NmrOneD 30563 Specdb::NmrOneD 30564 Specdb::NmrOneD 30565 Specdb::NmrOneD 30566 Specdb::NmrOneD 30567 Specdb::NmrOneD 30568 Specdb::NmrOneD 30569 Specdb::NmrOneD 30570 Specdb::NmrOneD 30571 Specdb::NmrOneD 30572 Specdb::NmrOneD 30573 Specdb::NmrOneD 30574 Specdb::NmrOneD 30575 Specdb::NmrOneD 30576 Specdb::NmrOneD 30577 Specdb::NmrOneD 30578 Specdb::NmrOneD 30579 Specdb::NmrOneD 30580 Specdb::NmrOneD 30581 HMDB38991 #<Reference:0x000055ce2dc82610> Breakfast cereal Type 2 specific Cereals and cereal products Unknown generic