1.0 2010-04-08 22:14:08 UTC 2019-11-26 03:17:06 UTC FDB019101 L-Malic acid benzoate Constituent of alfalfa (Medicago sativa). L-Malic acid benzoate is found in pulses. Benzoyl-L-malic acid Benzoylmalic acid L-Malic acid benzoate C11H10O6 238.1935 238.047738052 2-(benzoyloxy)butanedioic acid 2-(benzoyloxy)butanedioic acid 22138-51-8 OC(=O)CC(OC(=O)C1=CC=CC=C1)C(O)=O InChI=1S/C11H10O6/c12-9(13)6-8(10(14)15)17-11(16)7-4-2-1-3-5-7/h1-5,8H,6H2,(H,12,13)(H,14,15) NVPJTXMOQCANSN-UHFFFAOYSA-N belongs to the class of organic compounds known as benzoic acid esters. These are ester derivatives of benzoic acid. Benzoic acid esters Organic compounds Benzenoids Benzene and substituted derivatives Benzoic acids and derivatives Aromatic homomonocyclic compounds Benzoyl derivatives Carbonyl compounds Carboxylic acid esters Carboxylic acids Hydrocarbon derivatives Organic oxides Tricarboxylic acids and derivatives Aromatic homomonocyclic compound Benzoate ester Benzoyl Carbonyl group Carboxylic acid Carboxylic acid derivative Carboxylic acid ester Hydrocarbon derivative Organic oxide Organic oxygen compound Organooxygen compound Tricarboxylic acid or derivatives logp 0.83 ALOGPS logs -2.15 ALOGPS solubility 1.70e+00 g/l ALOGPS melting_point Mp 142° (136-138°) logp 1.38 ChemAxon pka_strongest_acidic 3.16 ChemAxon pka_strongest_basic -6.9 ChemAxon iupac 2-(benzoyloxy)butanedioic acid ChemAxon average_mass 238.1935 ChemAxon mono_mass 238.047738052 ChemAxon smiles OC(=O)CC(OC(=O)C1=CC=CC=C1)C(O)=O ChemAxon formula C11H10O6 ChemAxon inchi InChI=1S/C11H10O6/c12-9(13)6-8(10(14)15)17-11(16)7-4-2-1-3-5-7/h1-5,8H,6H2,(H,12,13)(H,14,15) ChemAxon inchikey NVPJTXMOQCANSN-UHFFFAOYSA-N ChemAxon polar_surface_area 100.9 ChemAxon refractivity 54.7 ChemAxon polarizability 21.71 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 5 ChemAxon donor_count 2 ChemAxon physiological_charge -2 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 45744 Specdb::MsMs 45745 Specdb::MsMs 45746 Specdb::MsMs 111843 Specdb::MsMs 111844 Specdb::MsMs 111845 Specdb::MsMs 2680548 Specdb::MsMs 2680549 Specdb::MsMs 2680550 Specdb::MsMs 3025659 Specdb::MsMs 3025660 Specdb::MsMs 3025661 Specdb::CMs 18718 Specdb::CMs 46429 Specdb::CMs 170774 HMDB39494 #<Reference:0x000055ce3074f500> Pulses Unknown generic