1.0 2016-10-03 18:34:31 UTC 2020-04-22 15:49:09 UTC BMDB0012225 BMDB12225 Enol-phenylpyruvate enol-Phenylpyruvic acid enol-alpha-Ketohydrocinnamic acid enol-a-Ketohydrocinnamate enol-a-Ketohydrocinnamic acid enol-alpha-Ketohydrocinnamate enol-Α-ketohydrocinnamate enol-Α-ketohydrocinnamic acid 2-Hydroxy-3-phenylpropenoate 2-Hydroxy-3-phenylpropenoic acid Phenylpyruvate enol-Phenylpyruvate C9H8O3 164.158 164.047344122 (2Z)-2-hydroxy-3-phenylprop-2-enoic acid DL-α-hydroxycinnamic acid 5801-57-0 OC(=O)C(\O)=C\C1=CC=CC=C1 InChI=1S/C9H8O3/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-6,10H,(H,11,12)/b8-6- DEDGUGJNLNLJSR-VURMDHGXSA-N belongs to the class of organic compounds known as phenylpyruvic acid derivatives. Phenylpyruvic acid derivatives are compounds containing a phenylpyruvic acid moiety, which consists of a phenyl group substituted at the second position by an pyruvic acid. Organic compounds Benzenoids Benzene and substituted derivatives Phenylpyruvic acid derivatives Phenylpyruvic acid derivatives Carbonyl compounds Carboxylic acids Cinnamic acids Enols Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Aromatic homomonocyclic compound Carbonyl group Carboxylic acid Carboxylic acid derivative Cinnamic acid Cinnamic acid or derivatives Enol Enol-phenylpyruvate Hydrocarbon derivative Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Aromatic homomonocyclic compounds Solid logp 1.55 ALOGPS logs -2.20 ALOGPS logp 1.62 ChemAxon pka_strongest_acidic 3.59 ChemAxon pka_strongest_basic -6.1 ChemAxon iupac (2Z)-2-hydroxy-3-phenylprop-2-enoic acid ChemAxon average_mass 164.158 ChemAxon mono_mass 164.047344122 ChemAxon smiles OC(=O)C(\O)=C\C1=CC=CC=C1 ChemAxon formula C9H8O3 ChemAxon inchi InChI=1S/C9H8O3/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-6,10H,(H,11,12)/b8-6- ChemAxon inchikey DEDGUGJNLNLJSR-VURMDHGXSA-N ChemAxon polar_surface_area 57.53 ChemAxon refractivity 45.03 ChemAxon polarizability 16.22 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 3 ChemAxon donor_count 2 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon number_of_rings 1 ChemAxon bioavailability 1 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::CMs 26591 Specdb::CMs 39873 Specdb::CMs 161423 Specdb::MsMs 324955 Specdb::MsMs 324956 Specdb::MsMs 324957 Specdb::MsMs 373495 Specdb::MsMs 373496 Specdb::MsMs 373497 Specdb::MsMs 2438197 Specdb::MsMs 2438198 Specdb::MsMs 2438199 Specdb::MsMs 2528274 Specdb::MsMs 2528275 Specdb::MsMs 2528276 Specdb::MsIr 2711 Specdb::MsIr 2712 Specdb::MsIr 2713 FDB028869 C02763 556910 641637 16815 ENOL-PHENYLPYRUVATE BMDBP00123 Macrophage migration inhibitory factor P80177 MIF Enzyme