1.0 2010-04-08 22:15:06 UTC 2019-11-26 03:19:06 UTC FDB020540 Avenalumic acid Constituent of oats (Avena sativa). Avenalumic acid is found in oat and cereals and cereal products. Avenalumic acid C11H10O3 190.1953 190.062994186 (2E,4E)-5-(4-hydroxyphenyl)penta-2,4-dienoic acid (2E,4E)-5-(4-hydroxyphenyl)penta-2,4-dienoic acid 135754-92-6 OC(=O)\C=C\C=C\C1=CC=C(O)C=C1 InChI=1S/C11H10O3/c12-10-7-5-9(6-8-10)3-1-2-4-11(13)14/h1-8,12H,(H,13,14)/b3-1+,4-2+ CYYTUYSFBHDJRH-ZPUQHVIOSA-N belongs to the class of organic compounds known as styrenes. These are organic compounds containing an ethenylbenzene moiety. Styrenes Organic compounds Benzenoids Benzene and substituted derivatives Styrenes Aromatic homomonocyclic compounds 1-hydroxy-2-unsubstituted benzenoids Carbonyl compounds Carboxylic acids Hydrocarbon derivatives Hydroxy fatty acids Medium-chain fatty acids Monocarboxylic acids and derivatives Organic oxides Unsaturated fatty acids 1-hydroxy-2-unsubstituted benzenoid Aromatic homomonocyclic compound Carbonyl group Carboxylic acid Carboxylic acid derivative Fatty acid Fatty acyl Hydrocarbon derivative Hydroxy fatty acid Medium-chain fatty acid Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Phenol Styrene Unsaturated fatty acid logp 2.68 ALOGPS logs -2.99 ALOGPS solubility 1.94e-01 g/l ALOGPS logp 2.36 ChemAxon pka_strongest_acidic 4.3 ChemAxon pka_strongest_basic -5.9 ChemAxon iupac (2E,4E)-5-(4-hydroxyphenyl)penta-2,4-dienoic acid ChemAxon average_mass 190.1953 ChemAxon mono_mass 190.062994186 ChemAxon smiles OC(=O)\C=C\C=C\C1=CC=C(O)C=C1 ChemAxon formula C11H10O3 ChemAxon inchi InChI=1S/C11H10O3/c12-10-7-5-9(6-8-10)3-1-2-4-11(13)14/h1-8,12H,(H,13,14)/b3-1+,4-2+ ChemAxon inchikey CYYTUYSFBHDJRH-ZPUQHVIOSA-N ChemAxon polar_surface_area 57.53 ChemAxon refractivity 55.36 ChemAxon polarizability 19.89 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 3 ChemAxon donor_count 2 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 24309 Specdb::CMs 46936 Specdb::CMs 161526 Specdb::MsIr 9071 Specdb::MsIr 9072 Specdb::MsIr 9073 Specdb::MsMs 319843 Specdb::MsMs 319844 Specdb::MsMs 319845 Specdb::MsMs 367078 Specdb::MsMs 367079 Specdb::MsMs 367080 Specdb::MsMs 2452093 Specdb::MsMs 2452094 Specdb::MsMs 2452095 Specdb::MsMs 2483215 Specdb::MsMs 2483216 Specdb::MsMs 2483217 HMDB40731 #<Reference:0x000055ce32515418> Breakfast cereal Type 2 specific Cereals and cereal products Unknown generic Oat Type 1 specific Avena sativa 4498