1.0 2016-09-30 22:33:42 UTC 2020-04-22 15:04:26 UTC BMDB0000620 BMDB00620 Glutaconic acid (e)-Glutaconate trans-Glutaconate trans-Glutaconic acid (e)-Glutaconic acid Glutaconate (e)-2-Pentenedioate (e)-2-Pentenedioic acid 1,3-Propenedicarboxylate 1,3-Propenedicarboxylic acid 1-Propene-1,3-dicarboxylate 1-Propene-1,3-dicarboxylic acid Pentenedioate Pentenedioic acid Glutaconic acid, (e)-isomer 2-Pentendioate 2-Pentenedioic acid Glutaconic acid C5H6O4 130.0987 130.02660868 (2E)-pent-2-enedioic acid glutaconic acid 628-48-8 OC(=O)C\C=C\C(O)=O InChI=1S/C5H6O4/c6-4(7)2-1-3-5(8)9/h1-2H,3H2,(H,6,7)(H,8,9)/b2-1+ XVOUMQNXTGKGMA-OWOJBTEDSA-N belongs to the class of organic compounds known as dicarboxylic acids and derivatives. These are organic compounds containing exactly two carboxylic acid groups. Organic compounds Organic acids and derivatives Carboxylic acids and derivatives Dicarboxylic acids and derivatives Dicarboxylic acids and derivatives Carbonyl compounds Carboxylic acids Hydrocarbon derivatives Organic oxides Unsaturated fatty acids Aliphatic acyclic compound Carbonyl group Carboxylic acid Dicarboxylic acid or derivatives Fatty acid Fatty acyl Hydrocarbon derivative Organic oxide Organic oxygen compound Organooxygen compound Unsaturated fatty acid Aliphatic acyclic compounds Dicarboxylic acids glutaconic acid Solid melting_point 133 - 135 °C logp 0.05 ALOGPS logs -0.87 ALOGPS logp 0.044 ChemAxon pka_strongest_acidic 3.69 ChemAxon iupac (2E)-pent-2-enedioic acid ChemAxon average_mass 130.0987 ChemAxon mono_mass 130.02660868 ChemAxon smiles OC(=O)C\C=C\C(O)=O ChemAxon formula C5H6O4 ChemAxon inchi InChI=1S/C5H6O4/c6-4(7)2-1-3-5(8)9/h1-2H,3H2,(H,6,7)(H,8,9)/b2-1+ ChemAxon inchikey XVOUMQNXTGKGMA-OWOJBTEDSA-N ChemAxon polar_surface_area 74.6 ChemAxon refractivity 29.23 ChemAxon polarizability 11.36 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 4 ChemAxon donor_count 2 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 673 Specdb::MsIr 674 Specdb::MsIr 675 Specdb::NmrTwoD 1384 Specdb::MsMs 837 Specdb::MsMs 838 Specdb::MsMs 839 Specdb::MsMs 316246 Specdb::MsMs 316247 Specdb::MsMs 316248 Specdb::MsMs 362443 Specdb::MsMs 362444 Specdb::MsMs 362445 Specdb::MsMs 1473474 Specdb::MsMs 1473475 Specdb::MsMs 1473476 Specdb::MsMs 1473477 Specdb::MsMs 1477452 Specdb::MsMs 1477453 Specdb::MsMs 1477454 Specdb::MsMs 1477455 Specdb::MsMs 1477456 Specdb::MsMs 1477457 Specdb::MsMs 1477458 Specdb::MsMs 1477459 Specdb::MsMs 1477460 Specdb::MsMs 1477461 Specdb::MsMs 1477462 Specdb::MsMs 1477463 Specdb::CMs 22630 Specdb::CMs 32125 Specdb::CMs 32137 Specdb::CMs 37653 Specdb::CMs 99587 Specdb::CMs 99588 Specdb::CMs 102459 Specdb::CMs 102460 Specdb::CMs 102461 Specdb::CMs 102462 Specdb::CMs 152286 Specdb::CMs 1070371 Specdb::CMs 1070373 Specdb::CMs 1070374 Specdb::CMs 1070376 Specdb::CMs 1070378 Specdb::NmrOneD 1439 Specdb::NmrOneD 20462 Specdb::NmrOneD 20463 Specdb::NmrOneD 20464 Specdb::NmrOneD 20465 Specdb::NmrOneD 20466 Specdb::NmrOneD 20467 Specdb::NmrOneD 20468 Specdb::NmrOneD 20469 Specdb::NmrOneD 20470 Specdb::NmrOneD 20471 Specdb::NmrOneD 20472 Specdb::NmrOneD 20473 Specdb::NmrOneD 20474 Specdb::NmrOneD 20475 Specdb::NmrOneD 20476 Specdb::NmrOneD 20477 Specdb::NmrOneD 20478 Specdb::NmrOneD 20479 Specdb::NmrOneD 20480 Specdb::NmrOneD 20481 C02214 FDB022146 5280498 4444138 C00052288 15670 GLUTACONATE Glutaconic_acid 5593 Schwarz, Siegfried; Bohn, Helmut; Schmidt, Dieter; Kulpa, Manfred; Spakowski, Horst; Becker, Manfred. Glutaconic acid. Ger. (East) (1967), 2 pp.