1.0 2010-04-08 22:04:46 UTC 2020-02-24 19:10:17 UTC FDB000936 Indole-3-methyl acetate Isolated from immature seeds of beach pea (Lathyrus maritimus), Vicia amurensis, wild soybean (Glycine soja), lobiya (Vigna catiang variety sinensis) and hyacinth bean (Dolichos lablab). Indole-3-methyl acetate is found in many foods, some of which are gram bean, yellow wax bean, common bean, and sweet orange. &beta;-indolylacetic acid methyl ester 1H-Indole-3-acetic acid, methyl ester b-Indolylacetate methyl ester b-Indolylacetic acid methyl ester beta -Indolylacetic acid methyl ester beta-Indolylacetate methyl ester beta-Indolylacetic acid methyl ester IAA methyl ester Indole-3-acetate, methyl ester Indole-3-acetic acid methyl ester INDOLE-3-ACETIC ACID METHYLESTER Indole-3-acetic acid, methyl ester Indole-3-methyl acetate Meiaa Methyl (indol-3-yl)acetate Methyl (indol-3-yl)acetic acid Methyl &beta;-indoleacetate Methyl &beta;-indolylacetate Methyl 1H-indol-3-ylacetate methyl 2-(1H-indol-3-yl)acetate Methyl 3-indolylacetate Methyl 3-indolylacetic acid Methyl b-indoleacetate Methyl b-indoleacetic acid Methyl b-indolylacetate Methyl b-indolylacetic acid Methyl beta -indoleacetate Methyl beta -indolylacetate Methyl beta-indoleacetate Methyl beta-indoleacetic acid Methyl beta-indolylacetate Methyl beta-indolylacetic acid Methyl iaa Methyl indol-3-ylacetate Methyl indol-3-ylacetic acid Methyl indole-3-acetate Methyl β-indoleacetate Methyl β-indoleacetic acid Methyl β-indolylacetate Methyl β-indolylacetic acid Methylester of 3-Indoleacetic acid β-indolylacetate methyl ester β-indolylacetic acid methyl ester C11H11NO2 189.2105 189.078978601 methyl 2-(1H-indol-3-yl)acetate methyl 1H-indol-3-ylacetate 1912-33-0 COC(=O)CC1=CNC2=C1C=CC=C2 InChI=1S/C11H11NO2/c1-14-11(13)6-8-7-12-10-5-3-2-4-9(8)10/h2-5,7,12H,6H2,1H3 KTHADMDGDNYQRX-UHFFFAOYSA-N belongs to the class of organic compounds known as indole-3-acetic acid derivatives. Indole-3-acetic acid derivatives are compounds containing an acetic acid (or a derivative) linked to the C3 carbon atom of an indole. Indole-3-acetic acid derivatives Organic compounds Organoheterocyclic compounds Indoles and derivatives Indolyl carboxylic acids and derivatives Aromatic heteropolycyclic compounds 3-alkylindoles Azacyclic compounds Benzenoids Carbonyl compounds Heteroaromatic compounds Hydrocarbon derivatives Methyl esters Monocarboxylic acids and derivatives Organic oxides Organonitrogen compounds Organopnictogen compounds Substituted pyrroles 3-alkylindole Aromatic heteropolycyclic compound Azacycle Benzenoid Carbonyl group Carboxylic acid derivative Carboxylic acid ester Heteroaromatic compound Hydrocarbon derivative Indole Indole-3-acetic acid derivative Methyl ester Monocarboxylic acid or derivatives Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Pyrrole Substituted pyrrole a plant hormone indoles methyl ester logp 2.61 ALOGPS logs -2.22 ALOGPS solubility 1.15e+00 g/l ALOGPS melting_point Mp 125° (as picrate) logp 1.86 ChemAxon pka_strongest_acidic 15.04 ChemAxon pka_strongest_basic -7.1 ChemAxon iupac methyl 2-(1H-indol-3-yl)acetate ChemAxon average_mass 189.2105 ChemAxon mono_mass 189.078978601 ChemAxon smiles COC(=O)CC1=CNC2=C1C=CC=C2 ChemAxon formula C11H11NO2 ChemAxon inchi InChI=1S/C11H11NO2/c1-14-11(13)6-8-7-12-10-5-3-2-4-9(8)10/h2-5,7,12H,6H2,1H3 ChemAxon inchikey KTHADMDGDNYQRX-UHFFFAOYSA-N ChemAxon polar_surface_area 42.09 ChemAxon refractivity 53.22 ChemAxon polarizability 19.78 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 1 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 3665 Specdb::MsIr 3666 Specdb::MsIr 3667 Specdb::CMs 17240 Specdb::CMs 161536 Specdb::EiMs 1542 Specdb::NmrOneD 281939 Specdb::NmrOneD 281940 Specdb::NmrOneD 281941 Specdb::NmrOneD 281942 Specdb::NmrOneD 281943 Specdb::NmrOneD 281944 Specdb::NmrOneD 281945 Specdb::NmrOneD 281946 Specdb::NmrOneD 281947 Specdb::NmrOneD 281948 Specdb::NmrOneD 281949 Specdb::NmrOneD 281950 Specdb::NmrOneD 281951 Specdb::NmrOneD 281952 Specdb::NmrOneD 281953 Specdb::NmrOneD 281954 Specdb::NmrOneD 281955 Specdb::NmrOneD 281956 Specdb::NmrOneD 281957 Specdb::NmrOneD 281958 Specdb::MsMs 7649 Specdb::MsMs 7650 Specdb::MsMs 7651 Specdb::MsMs 14321 Specdb::MsMs 14322 Specdb::MsMs 14323 Specdb::MsMs 440165 Specdb::MsMs 2231922 Specdb::MsMs 2253058 Specdb::MsMs 2253390 Specdb::MsMs 2255161 Specdb::MsMs 2255426 Specdb::MsMs 2257085 Specdb::MsMs 2257493 Specdb::MsMs 2259058 Specdb::MsMs 2259530 Specdb::MsMs 2758497 Specdb::MsMs 2758498 Specdb::MsMs 2758499 Specdb::MsMs 2950683 Specdb::MsMs 2950684 Specdb::MsMs 2950685 HMDB29738 #<Reference:0x000055ce320074a8> Apple Type 1 specific Malus pumila 283210 Cauliflower Type 1 specific Brassica oleracea var. botrytis 3715 Common bean Type 1 specific Phaseolus vulgaris 3885 Common grape Type 1 specific Vitis vinifera 29760 Common hazelnut Type 1 specific Corylus avellana 13451 Common pea Type 1 specific Pisum sativum 3888 Corn Type 1 specific Zea mays 4577 European plum Type 1 specific Prunus domestica 3758 Garden tomato (var.) Type 1 specific Solanum lycopersicum var. lycopersicum 397755 Gram bean Type 1 specific Vigna mungo 3915 Green bean Type 1 specific Phaseolus vulgaris 3885 Hyacinth bean Type 1 specific Lablab purpureus 35936 Japanese chestnut Type 1 specific Castanea crenata 103480 Japanese persimmon Type 1 specific Diospyros kaki 35925 Pulses Unknown generic Radish Type 1 specific Raphanus sativus 3726 Sour cherry Type 1 specific Prunus cerasus 140311 Sweet orange Type 1 specific Citrus sinensis 2711 Yellow wax bean Type 1 specific Phaseolus vulgaris 3885