1.0 2016-09-30 22:50:25 UTC 2020-04-22 15:09:32 UTC BMDB0002050 BMDB02050 Dihydroxyfumaric acid Dihydroxyfumarate (2-)Dihydroxyfumarate (2E)-2,3-Dihydroxybut-2-enedioate (2E)-2,3-Dihydroxybut-2-enedioic acid 3,4,4-Trihydroxy-2-oxobut-3-enoate 3,4,4-Trihydroxy-2-oxobut-3-enoic acid DHF Dihydroxy-fumarate C4H4O6 148.071 148.00078786 3,4,4-trihydroxy-2-oxobut-3-enoic acid dihydroxy-fumaric acid 133-38-0 OC(O)=C(O)C(=O)C(O)=O InChI=1S/C4H4O6/c5-1(3(7)8)2(6)4(9)10/h5,7-8H,(H,9,10) KAPRQAPANAEVOD-UHFFFAOYSA-N belongs to the class of organic compounds known as short-chain keto acids and derivatives. These are keto acids with an alkyl chain the contains less than 6 carbon atoms. Organic compounds Organic acids and derivatives Keto acids and derivatives Short-chain keto acids and derivatives Short-chain keto acids and derivatives Acryloyl compounds Alpha-branched alpha,beta-unsaturated ketones Alpha-hydroxy ketones Alpha-keto acids and derivatives Carboxylic acids Enones Hydrocarbon derivatives Hydroxy fatty acids Monocarboxylic acids and derivatives Organic oxides Polyols Unsaturated fatty acids Vinylogous acids Acryloyl-group Aliphatic acyclic compound Alpha,beta-unsaturated ketone Alpha-branched alpha,beta-unsaturated-ketone Alpha-hydroxy ketone Alpha-keto acid Carbonyl group Carboxylic acid Carboxylic acid derivative Enone Fatty acyl Hydrocarbon derivative Hydroxy fatty acid Ketone Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Polyol Short-chain keto acid Unsaturated fatty acid Vinylogous acid Aliphatic acyclic compounds Oxo fatty acids Solid water_solubility 2.96 mg/mL at 12 °C logp -1.37 ALOGPS logs -1.02 ALOGPS logp -0.0088 ChemAxon pka_strongest_acidic 2.01 ChemAxon pka_strongest_basic -5.2 ChemAxon iupac 3,4,4-trihydroxy-2-oxobut-3-enoic acid ChemAxon average_mass 148.071 ChemAxon mono_mass 148.00078786 ChemAxon smiles OC(O)=C(O)C(=O)C(O)=O ChemAxon formula C4H4O6 ChemAxon inchi InChI=1S/C4H4O6/c5-1(3(7)8)2(6)4(9)10/h5,7-8H,(H,9,10) ChemAxon inchikey KAPRQAPANAEVOD-UHFFFAOYSA-N ChemAxon polar_surface_area 115.06 ChemAxon refractivity 37.86 ChemAxon polarizability 10.97 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 6 ChemAxon donor_count 4 ChemAxon physiological_charge -2 ChemAxon formal_charge 0 ChemAxon number_of_rings 0 ChemAxon bioavailability 1 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::MsIr 1574 Specdb::MsIr 1575 Specdb::MsIr 1576 Specdb::CMs 15953 Specdb::CMs 38243 Specdb::CMs 134871 Specdb::CMs 142605 Specdb::MsMs 301321 Specdb::MsMs 301322 Specdb::MsMs 301323 Specdb::MsMs 343816 Specdb::MsMs 343817 Specdb::MsMs 343818 Specdb::MsMs 2409745 Specdb::MsMs 2409746 Specdb::MsMs 2409747 Specdb::MsMs 2555380 Specdb::MsMs 2555381 Specdb::MsMs 2555382 FDB022816 8299 8618 4593 C00975 6460