1.0 2010-04-08 22:14:12 UTC 2019-11-26 03:17:14 UTC FDB019205 2-Oxo-4-methylenepentanedioic acid Found in peanut (Arachis hypogaea) 2-Methylidene-4-oxopentanedioate 2-Methylidene-4-oxopentanedioic acid 4-Carboxy-2-oxo-4-pentenoate 4-Carboxy-2-oxo-4-pentenoic acid a-Keto-g-methyleneglutamic acid C6H6O5 158.1088 158.021523302 2-methylidene-4-oxopentanedioic acid 4-methylene-2-oxoglutarate 55601-65-5 OC(=O)C(=C)CC(=O)C(O)=O InChI=1S/C6H6O5/c1-3(5(8)9)2-4(7)6(10)11/h1-2H2,(H,8,9)(H,10,11) OARCEFMISOKEKI-UHFFFAOYSA-N belongs to the class of organic compounds known as gamma-keto acids and derivatives. These are organic compounds containing an aldehyde substituted with a keto group on the C4 carbon atom. Gamma-keto acids and derivatives Organic compounds Organic acids and derivatives Keto acids and derivatives Gamma-keto acids and derivatives Aliphatic acyclic compounds Alpha-hydroxy ketones Alpha-keto acids and derivatives Branched fatty acids Carboxylic acids Dicarboxylic acids and derivatives Hydrocarbon derivatives Organic oxides Short-chain keto acids and derivatives Unsaturated fatty acids Aliphatic acyclic compound Alpha-hydroxy ketone Alpha-keto acid Branched fatty acid Carbonyl group Carboxylic acid Carboxylic acid derivative Dicarboxylic acid or derivatives Fatty acyl Gamma-keto acid Hydrocarbon derivative Ketone Organic oxide Organic oxygen compound Organooxygen compound Short-chain keto acid Unsaturated fatty acid Dicarboxylic acids oxo carboxylic acid logp 0.08 ALOGPS logs -1.48 ALOGPS solubility 5.27e+00 g/l ALOGPS logp 0.34 ChemAxon pka_strongest_acidic 2.76 ChemAxon pka_strongest_basic -9.8 ChemAxon iupac 2-methylidene-4-oxopentanedioic acid ChemAxon average_mass 158.1088 ChemAxon mono_mass 158.021523302 ChemAxon smiles OC(=O)C(=C)CC(=O)C(O)=O ChemAxon formula C6H6O5 ChemAxon inchi InChI=1S/C6H6O5/c1-3(5(8)9)2-4(7)6(10)11/h1-2H2,(H,8,9)(H,10,11) ChemAxon inchikey OARCEFMISOKEKI-UHFFFAOYSA-N ChemAxon polar_surface_area 91.67 ChemAxon refractivity 33.26 ChemAxon polarizability 13 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 5 ChemAxon donor_count 2 ChemAxon physiological_charge -2 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 7649 Specdb::MsIr 7650 Specdb::MsIr 7651 Specdb::CMs 10757 Specdb::CMs 45536 Specdb::CMs 137738 Specdb::CMs 145472 Specdb::MsMs 93579 Specdb::MsMs 93580 Specdb::MsMs 93581 Specdb::MsMs 157371 Specdb::MsMs 157372 Specdb::MsMs 157373 Specdb::MsMs 2262643 Specdb::MsMs 2262644 Specdb::MsMs 2262645 Specdb::MsMs 3080271 Specdb::MsMs 3080272 Specdb::MsMs 3080273 Specdb::NmrOneD 22902 Specdb::NmrOneD 22903 Specdb::NmrOneD 22904 Specdb::NmrOneD 22905 Specdb::NmrOneD 22906 Specdb::NmrOneD 22907 Specdb::NmrOneD 22908 Specdb::NmrOneD 22909 Specdb::NmrOneD 22910 Specdb::NmrOneD 22911 Specdb::NmrOneD 22912 Specdb::NmrOneD 22913 Specdb::NmrOneD 22914 Specdb::NmrOneD 22915 Specdb::NmrOneD 22916 Specdb::NmrOneD 22917 Specdb::NmrOneD 22918 Specdb::NmrOneD 22919 Specdb::NmrOneD 22920 Specdb::NmrOneD 22921 HMDB37759 #<Reference:0x000055ce2f3dbfa0> Nuts Unknown generic