1.0 2010-04-08 22:14:09 UTC 2019-11-26 03:17:07 UTC FDB019121 Benzoyl meso-tartaric acid Constituent of alfalfa (Medicago sativa). Benzoyl meso-tartaric acid is found in pulses. Benzoyl meso-tartaric acid C11H10O7 254.1929 254.042652674 2-(benzoyloxy)-3-hydroxybutanedioic acid 2-(benzoyloxy)-3-hydroxybutanedioic acid 65621-34-3 OC(C(OC(=O)C1=CC=CC=C1)C(O)=O)C(O)=O InChI=1S/C11H10O7/c12-7(9(13)14)8(10(15)16)18-11(17)6-4-2-1-3-5-6/h1-5,7-8,12H,(H,13,14)(H,15,16) JXXURQWKKCNUBH-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 Alpha hydroxy acids and derivatives Benzoyl derivatives Beta hydroxy acids and derivatives Carbonyl compounds Carboxylic acid esters Carboxylic acids Hydrocarbon derivatives Monosaccharides Organic oxides Secondary alcohols Sugar acids and derivatives Tricarboxylic acids and derivatives Alcohol Alpha-hydroxy acid Aromatic homomonocyclic compound Benzoate ester Benzoyl Beta-hydroxy acid Carbonyl group Carboxylic acid Carboxylic acid derivative Carboxylic acid ester Hydrocarbon derivative Hydroxy acid Monosaccharide Organic oxide Organic oxygen compound Organooxygen compound Secondary alcohol Sugar acid Tricarboxylic acid or derivatives logp 0.86 ALOGPS logs -1.52 ALOGPS solubility 7.67e+00 g/l ALOGPS melting_point Mp 192-196° (190-193°) logp 0.67 ChemAxon pka_strongest_acidic 3.03 ChemAxon pka_strongest_basic -4.3 ChemAxon iupac 2-(benzoyloxy)-3-hydroxybutanedioic acid ChemAxon average_mass 254.1929 ChemAxon mono_mass 254.042652674 ChemAxon smiles OC(C(OC(=O)C1=CC=CC=C1)C(O)=O)C(O)=O ChemAxon formula C11H10O7 ChemAxon inchi InChI=1S/C11H10O7/c12-7(9(13)14)8(10(15)16)18-11(17)6-4-2-1-3-5-6/h1-5,7-8,12H,(H,13,14)(H,15,16) ChemAxon inchikey JXXURQWKKCNUBH-UHFFFAOYSA-N ChemAxon polar_surface_area 121.13 ChemAxon refractivity 56.04 ChemAxon polarizability 22.73 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 6 ChemAxon donor_count 3 ChemAxon physiological_charge -2 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 24470 Specdb::CMs 46444 Specdb::CMs 158472 Specdb::MsMs 54318 Specdb::MsMs 54319 Specdb::MsMs 54320 Specdb::MsMs 157284 Specdb::MsMs 157285 Specdb::MsMs 157286 Specdb::MsMs 2450101 Specdb::MsMs 2450102 Specdb::MsMs 2450103 Specdb::MsMs 2488170 Specdb::MsMs 2488171 Specdb::MsMs 2488172 Specdb::NmrOneD 33622 Specdb::NmrOneD 33623 Specdb::NmrOneD 33624 Specdb::NmrOneD 33625 Specdb::NmrOneD 33626 Specdb::NmrOneD 33627 Specdb::NmrOneD 33628 Specdb::NmrOneD 33629 Specdb::NmrOneD 33630 Specdb::NmrOneD 33631 Specdb::NmrOneD 33632 Specdb::NmrOneD 33633 Specdb::NmrOneD 33634 Specdb::NmrOneD 33635 Specdb::NmrOneD 33636 Specdb::NmrOneD 33637 Specdb::NmrOneD 33638 Specdb::NmrOneD 33639 Specdb::NmrOneD 33640 Specdb::NmrOneD 33641 HMDB39511 #<Reference:0x000055ce308438d0> Pulses Unknown generic