1.0 2019-09-16 21:23:48 UTC 2025-11-19 03:06:38 UTC FDB093570 1,5-Dimethyl citrate C8H12O7 220.177 220.058302726 2-hydroxy-4-methoxy-2-(2-methoxy-2-oxoethyl)-4-oxobutanoic acid 2-hydroxy-4-methoxy-2-(2-methoxy-2-oxoethyl)-4-oxobutanoic acid COC(=O)CC(O)(CC(=O)OC)C(O)=O InChI=1S/C8H12O7/c1-14-5(9)3-8(13,7(11)12)4-6(10)15-2/h13H,3-4H2,1-2H3,(H,11,12) XLYPVOJLUJUWKA-UHFFFAOYSA-N belongs to the class of organic compounds known as tricarboxylic acids and derivatives. These are carboxylic acids containing exactly three carboxyl groups. Tricarboxylic acids and derivatives Organic compounds Organic acids and derivatives Carboxylic acids and derivatives Tricarboxylic acids and derivatives Aliphatic acyclic compounds Alpha hydroxy acids and derivatives Carbonyl compounds Carboxylic acids Fatty acid methyl esters Hydrocarbon derivatives Methyl esters Organic oxides Tertiary alcohols Alcohol Aliphatic acyclic compound Alpha-hydroxy acid Carbonyl group Carboxylic acid Carboxylic acid ester Fatty acid ester Fatty acid methyl ester Fatty acyl Hydrocarbon derivative Hydroxy acid Methyl ester Organic oxide Organic oxygen compound Organooxygen compound Tertiary alcohol Tricarboxylic acid or derivatives logp -0.68 ALOGPS logs -0.15 ALOGPS solubility 1.56e+02 g/l ALOGPS logp -1 ChemAxon pka_strongest_acidic 3.32 ChemAxon pka_strongest_basic -4.2 ChemAxon iupac 2-hydroxy-4-methoxy-2-(2-methoxy-2-oxoethyl)-4-oxobutanoic acid ChemAxon average_mass 220.177 ChemAxon mono_mass 220.058302726 ChemAxon smiles COC(=O)CC(O)(CC(=O)OC)C(O)=O ChemAxon formula C8H12O7 ChemAxon inchi InChI=1S/C8H12O7/c1-14-5(9)3-8(13,7(11)12)4-6(10)15-2/h13H,3-4H2,1-2H3,(H,11,12) ChemAxon inchikey XLYPVOJLUJUWKA-UHFFFAOYSA-N ChemAxon polar_surface_area 110.13 ChemAxon refractivity 45.16 ChemAxon polarizability 19.56 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 5 ChemAxon donor_count 2 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 1315393 Specdb::MsMs 1315394 Specdb::MsMs 1315395 Specdb::MsMs 1429861 Specdb::MsMs 1429862 Specdb::MsMs 1429863 Specdb::MsMs 3609457 Specdb::MsMs 3609458 Specdb::MsMs 3609459 Specdb::MsMs 3609460 Specdb::MsMs 3609461 Specdb::MsMs 3609462 Mundu Type 1 Garcinia dulcis