1.0 2010-04-08 22:13:42 UTC 2019-11-26 03:16:08 UTC FDB018417 (R)-2,3-Dihydro-3,5-dihydroxy-2-oxo-3-indoleacetic acid Constituent of rice bran. (R)-2,3-Dihydro-3,5-dihydroxy-2-oxo-3-indoleacetic acid is found in cereals and cereal products. C10H9NO5 223.1822 223.048072403 2-(3,5-dihydroxy-2-oxo-2,3-dihydro-1H-indol-3-yl)acetic acid (3,5-dihydroxy-2-oxo-1H-indol-3-yl)acetic acid OC(=O)CC1(O)C(=O)NC2=C1C=C(O)C=C2 InChI=1S/C10H9NO5/c12-5-1-2-7-6(3-5)10(16,4-8(13)14)9(15)11-7/h1-3,12,16H,4H2,(H,11,15)(H,13,14) BSACCBRVBZORKX-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 3-alkylindoles Azacyclic compounds Carbonyl compounds Carboxylic acids Cyclic carboximidic acids Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Organonitrogen compounds Organopnictogen compounds Polyols Propargyl-type 1,3-dipolar organic compounds Tertiary alcohols 1-hydroxy-2-unsubstituted benzenoid 3-alkylindole Alcohol Aromatic heteropolycyclic compound Azacycle Benzenoid Carbonyl group Carboxylic acid Carboxylic acid derivative Cyclic carboximidic acid Hydrocarbon derivative Indole Indolyl carboxylic acid derivative Monocarboxylic acid or derivatives Organic 1,3-dipolar compound Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Polyol Propargyl-type 1,3-dipolar organic compound Tertiary alcohol logp 0.11 ALOGPS logs -1.09 ALOGPS solubility 1.81e+01 g/l ALOGPS logp -0.16 ChemAxon pka_strongest_acidic 3.51 ChemAxon pka_strongest_basic -4.3 ChemAxon iupac 2-(3,5-dihydroxy-2-oxo-2,3-dihydro-1H-indol-3-yl)acetic acid ChemAxon average_mass 223.1822 ChemAxon mono_mass 223.048072403 ChemAxon smiles OC(=O)CC1(O)C(=O)NC2=C1C=C(O)C=C2 ChemAxon formula C10H9NO5 ChemAxon inchi InChI=1S/C10H9NO5/c12-5-1-2-7-6(3-5)10(16,4-8(13)14)9(15)11-7/h1-3,12,16H,4H2,(H,11,15)(H,13,14) ChemAxon inchikey BSACCBRVBZORKX-UHFFFAOYSA-N ChemAxon polar_surface_area 106.86 ChemAxon refractivity 53.65 ChemAxon polarizability 20.33 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 5 ChemAxon donor_count 4 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::NmrOneD 30162 Specdb::NmrOneD 30163 Specdb::NmrOneD 30164 Specdb::NmrOneD 30165 Specdb::NmrOneD 30166 Specdb::NmrOneD 30167 Specdb::NmrOneD 30168 Specdb::NmrOneD 30169 Specdb::NmrOneD 30170 Specdb::NmrOneD 30171 Specdb::NmrOneD 30172 Specdb::NmrOneD 30173 Specdb::NmrOneD 30174 Specdb::NmrOneD 30175 Specdb::NmrOneD 30176 Specdb::NmrOneD 30177 Specdb::NmrOneD 30178 Specdb::NmrOneD 30179 Specdb::NmrOneD 30180 Specdb::NmrOneD 30181 Specdb::CMs 20880 Specdb::CMs 46163 Specdb::CMs 137497 Specdb::CMs 145231 Specdb::MsMs 107595 Specdb::MsMs 107596 Specdb::MsMs 107597 Specdb::MsMs 174606 Specdb::MsMs 174607 Specdb::MsMs 174608 Specdb::MsMs 2804973 Specdb::MsMs 2804974 Specdb::MsMs 2804975 Specdb::MsMs 2876387 Specdb::MsMs 2876388 Specdb::MsMs 2876389 HMDB38941 #<Reference:0x000055ce32f97058> Breakfast cereal Type 2 specific Cereals and cereal products Unknown generic