1.0 2010-04-08 22:13:44 UTC 2025-11-19 02:11:43 UTC FDB018478 Dioxindole-3-acetic acid Dioxindole-3-acetic acid belongs to indolyl carboxylic acids and derivatives class of compounds. Those are compounds containing a carboxylic acid chain (of at least 2 carbon atoms) linked to an indole ring. Dioxindole-3-acetic acid is slightly soluble (in water) and a moderately acidic compound (based on its pKa). Dioxindole-3-acetic acid can be found in sunflower, which makes dioxindole-3-acetic acid a potential biomarker for the consumption of this food product. Dioxindole-3-acetic acid C10H9NO4 207.1828 207.053157781 2-(2,3-dihydroxy-3H-indol-3-yl)acetic acid (2,3-dihydroxyindol-3-yl)acetic acid OC(=O)CC1(O)C(O)=NC2=CC=CC=C12 InChI=1S/C10H9NO4/c12-8(13)5-10(15)6-3-1-2-4-7(6)11-9(10)14/h1-4,15H,5H2,(H,11,14)(H,12,13) MHLHEINWUCSPTL-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 Carboxylic acids Hydrocarbon derivatives Indoles Indolines Lactams 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 Carboxylic acid derivative Dihydroindole Hydrocarbon derivative Indole Indolyl carboxylic acid derivative Lactam 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 -0.08 ALOGPS logs -2.14 ALOGPS solubility 1.49e+00 g/l ALOGPS logp 0.88 ChemAxon pka_strongest_acidic 2.38 ChemAxon pka_strongest_basic -0.27 ChemAxon iupac 2-(2,3-dihydroxy-3H-indol-3-yl)acetic acid ChemAxon average_mass 207.1828 ChemAxon mono_mass 207.053157781 ChemAxon smiles OC(=O)CC1(O)C(O)=NC2=CC=CC=C12 ChemAxon formula C10H9NO4 ChemAxon inchi InChI=1S/C10H9NO4/c12-8(13)5-10(15)6-3-1-2-4-7(6)11-9(10)14/h1-4,15H,5H2,(H,11,14)(H,12,13) ChemAxon inchikey MHLHEINWUCSPTL-UHFFFAOYSA-N ChemAxon polar_surface_area 90.12 ChemAxon refractivity 52.43 ChemAxon polarizability 19.47 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 5 ChemAxon donor_count 3 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 95881 Specdb::MsMs 103473 Specdb::MsMs 103474 Specdb::MsMs 103475 Specdb::MsMs 169521 Specdb::MsMs 169522 Specdb::MsMs 169523 Sunflower Type 1 specific Helianthus annuus 4232