1.0 2016-09-30 22:34:02 UTC 2020-04-22 15:04:31 UTC BMDB0000635 BMDB00635 Succinylacetone 4,6-Dioxoheptanoate 4,6-Dioxoheptanoic acid Succinylacetone C7H10O4 158.1519 158.057908808 4,6-dioxoheptanoic acid succinylacetone 51568-18-4 CC(=O)CC(=O)CCC(O)=O InChI=1S/C7H10O4/c1-5(8)4-6(9)2-3-7(10)11/h2-4H2,1H3,(H,10,11) WYEPBHZLDUPIOD-UHFFFAOYSA-N belongs to the class of organic compounds known as medium-chain keto acids and derivatives. These are keto acids with a 6 to 12 carbon atoms long side chain. Organic compounds Organic acids and derivatives Keto acids and derivatives Medium-chain keto acids and derivatives Medium-chain keto acids and derivatives Beta-diketones Carboxylic acids Gamma-keto acids and derivatives Hydrocarbon derivatives Ketones Monocarboxylic acids and derivatives Organic oxides 1,3-dicarbonyl compound 1,3-diketone Aliphatic acyclic compound Carbonyl group Carboxylic acid Carboxylic acid derivative Gamma-keto acid Hydrocarbon derivative Ketone Medium-chain keto acid Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Aliphatic acyclic compounds Solid melting_point 66 - 67 °C logp -0.18 ALOGPS logs -0.82 ALOGPS logp 0.15 ChemAxon pka_strongest_acidic 4.15 ChemAxon pka_strongest_basic -7.2 ChemAxon iupac 4,6-dioxoheptanoic acid ChemAxon average_mass 158.1519 ChemAxon mono_mass 158.057908808 ChemAxon smiles CC(=O)CC(=O)CCC(O)=O ChemAxon formula C7H10O4 ChemAxon inchi InChI=1S/C7H10O4/c1-5(8)4-6(9)2-3-7(10)11/h2-4H2,1H3,(H,10,11) ChemAxon inchikey WYEPBHZLDUPIOD-UHFFFAOYSA-N ChemAxon polar_surface_area 71.44 ChemAxon refractivity 36.98 ChemAxon polarizability 15.07 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 4 ChemAxon donor_count 1 ChemAxon physiological_charge -1 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 694 Specdb::MsIr 695 Specdb::MsIr 696 Specdb::EiMs 564 Specdb::NmrOneD 1448 Specdb::NmrOneD 7262 Specdb::NmrOneD 7263 Specdb::NmrOneD 7264 Specdb::NmrOneD 7265 Specdb::NmrOneD 7266 Specdb::NmrOneD 7267 Specdb::NmrOneD 7268 Specdb::NmrOneD 7269 Specdb::NmrOneD 7270 Specdb::NmrOneD 7271 Specdb::NmrOneD 7272 Specdb::NmrOneD 7273 Specdb::NmrOneD 7274 Specdb::NmrOneD 7275 Specdb::NmrOneD 7276 Specdb::NmrOneD 7277 Specdb::NmrOneD 7278 Specdb::NmrOneD 7279 Specdb::NmrOneD 7280 Specdb::NmrOneD 7281 Specdb::CMs 17977 Specdb::CMs 37664 Specdb::CMs 153758 Specdb::CMs 1070812 Specdb::CMs 1070813 Specdb::CMs 1070815 Specdb::CMs 1070817 Specdb::CMs 1070819 Specdb::CMs 1070821 Specdb::CMs 1070822 Specdb::CMs 1070824 Specdb::CMs 1070826 Specdb::NmrTwoD 1393 Specdb::MsMs 867 Specdb::MsMs 868 Specdb::MsMs 869 Specdb::MsMs 10079 Specdb::MsMs 10080 Specdb::MsMs 10081 Specdb::MsMs 16751 Specdb::MsMs 16752 Specdb::MsMs 16753 Specdb::MsMs 2235786 Specdb::MsMs 2237610 Specdb::MsMs 2237916 Specdb::MsMs 2239640 Specdb::MsMs 2240074 Specdb::MsMs 2241655 Specdb::MsMs 2765825 Specdb::MsMs 2765826 Specdb::MsMs 2765827 Specdb::MsMs 2942944 Specdb::MsMs 2942945 Specdb::MsMs 2942946 FDB022156 5121 5312 C00052413 87897 Succinylacetone 5608 Levenson, Corey H. Process for the preparation of succinylacetone. PCT Int. Appl. (1991), 9 pp.