1.0 2010-04-08 22:13:51 UTC 2019-11-26 03:16:28 UTC FDB018661 Wyeronic acid Isolated from Vicia faba. Wyeronic acid is found in pulses. 3-[5-(1-Oxo-4-hexen-2-ynyl)-2-furanyl]-2-propenoic acid, 9CI C13H10O4 230.2161 230.057908808 (2Z)-3-{5-[(4E)-hex-4-en-2-ynoyl]furan-2-yl}prop-2-enoic acid (2Z)-3-{5-[(4E)-hex-4-en-2-ynoyl]furan-2-yl}prop-2-enoic acid 117783-52-5 C\C=C\C#CC(=O)C1=CC=C(O1)\C=C/C(O)=O InChI=1S/C13H10O4/c1-2-3-4-5-11(14)12-8-6-10(17-12)7-9-13(15)16/h2-3,6-9H,1H3,(H,15,16)/b3-2+,9-7- DMVOIMZYBMLJHN-XKURDXHJSA-N belongs to the class of organic compounds known as furanoid fatty acids. These are fatty acids containing a 5-alkylfuran-2-alkanoic acid. Furanoid fatty acids Organic compounds Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates Aromatic heteromonocyclic compounds Alpha,beta-unsaturated ketones Aryl ketones Carboxylic acids Furans Heteroaromatic compounds Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Oxacyclic compounds Alpha,beta-unsaturated ketone Aromatic heteromonocyclic compound Aryl ketone Carbonyl group Carboxylic acid Carboxylic acid derivative Furan Furanoid fatty acid Heteroaromatic compound Hydrocarbon derivative Ketone Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle logp 2.58 ALOGPS logs -3.82 ALOGPS solubility 3.49e-02 g/l ALOGPS logp 2.44 ChemAxon pka_strongest_acidic 2.2 ChemAxon pka_strongest_basic -4.4 ChemAxon iupac (2Z)-3-{5-[(4E)-hex-4-en-2-ynoyl]furan-2-yl}prop-2-enoic acid ChemAxon average_mass 230.2161 ChemAxon mono_mass 230.057908808 ChemAxon smiles C\C=C\C#CC(=O)C1=CC=C(O1)\C=C/C(O)=O ChemAxon formula C13H10O4 ChemAxon inchi InChI=1S/C13H10O4/c1-2-3-4-5-11(14)12-8-6-10(17-12)7-9-13(15)16/h2-3,6-9H,1H3,(H,15,16)/b3-2+,9-7- ChemAxon inchikey DMVOIMZYBMLJHN-XKURDXHJSA-N ChemAxon polar_surface_area 67.51 ChemAxon refractivity 64.69 ChemAxon polarizability 23.44 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 3 ChemAxon donor_count 1 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 26230 Specdb::CMs 46284 Specdb::CMs 158730 Specdb::MsMs 94863 Specdb::MsMs 94864 Specdb::MsMs 94865 Specdb::MsMs 158994 Specdb::MsMs 158995 Specdb::MsMs 158996 Specdb::MsMs 2828630 Specdb::MsMs 2828631 Specdb::MsMs 2828632 Specdb::MsMs 2853013 Specdb::MsMs 2853014 Specdb::MsMs 2853015 HMDB39141 #<Reference:0x000055ce33324bf8> Pulses Unknown generic