1.0 2010-04-08 22:13:02 UTC 2019-11-26 03:14:42 UTC FDB017353 Genipinic acid Isolated from the jagua fruit Genipa americana. Genipinic acid is found in beverages and fruits. C11H14O6 242.2253 242.07903818 2-{3-hydroxy-1H,3H,4H,5H,6H-cyclopenta[c]furan-4-yl}-3-methoxy-3-oxopropanoic acid 2-{3-hydroxy-1H,3H,4H,5H,6H-cyclopenta[c]furan-4-yl}-3-methoxy-3-oxopropanoic acid COC(=O)C(C1CCC2=C1C(O)OC2)C(O)=O InChI=1S/C11H14O6/c1-16-10(14)8(9(12)13)6-3-2-5-4-17-11(15)7(5)6/h6,8,11,15H,2-4H2,1H3,(H,12,13) XNIJPPBKASPAIZ-UHFFFAOYSA-N belongs to the class of organic compounds known as dicarboxylic acids and derivatives. These are organic compounds containing exactly two carboxylic acid groups. Dicarboxylic acids and derivatives Organic compounds Organic acids and derivatives Carboxylic acids and derivatives Dicarboxylic acids and derivatives Aliphatic heteropolycyclic compounds 1,3-dicarbonyl compounds Carboxylic acids Dihydrofurans Hemiacetals Hydrocarbon derivatives Methyl esters Organic oxides Oxacyclic compounds 1,3-dicarbonyl compound Aliphatic heteropolycyclic compound Carbonyl group Carboxylic acid Carboxylic acid ester Dicarboxylic acid or derivatives Dihydrofuran Hemiacetal Hydrocarbon derivative Methyl ester Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle logp -0.34 ALOGPS logs -0.73 ALOGPS solubility 4.52e+01 g/l ALOGPS logp -0.12 ChemAxon pka_strongest_acidic 3.84 ChemAxon pka_strongest_basic -4.2 ChemAxon iupac 2-{3-hydroxy-1H,3H,4H,5H,6H-cyclopenta[c]furan-4-yl}-3-methoxy-3-oxopropanoic acid ChemAxon average_mass 242.2253 ChemAxon mono_mass 242.07903818 ChemAxon smiles COC(=O)C(C1CCC2=C1C(O)OC2)C(O)=O ChemAxon formula C11H14O6 ChemAxon inchi InChI=1S/C11H14O6/c1-16-10(14)8(9(12)13)6-3-2-5-4-17-11(15)7(5)6/h6,8,11,15H,2-4H2,1H3,(H,12,13) ChemAxon inchikey XNIJPPBKASPAIZ-UHFFFAOYSA-N ChemAxon polar_surface_area 93.06 ChemAxon refractivity 55.63 ChemAxon polarizability 23.07 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 5 ChemAxon donor_count 2 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 19824 Specdb::CMs 45693 Specdb::CMs 147718 Specdb::MsMs 83010 Specdb::MsMs 83011 Specdb::MsMs 83012 Specdb::MsMs 144513 Specdb::MsMs 144514 Specdb::MsMs 144515 Specdb::MsMs 2342718 Specdb::MsMs 2342719 Specdb::MsMs 2342720 Specdb::MsMs 2595832 Specdb::MsMs 2595833 Specdb::MsMs 2595834 Specdb::NmrOneD 25002 Specdb::NmrOneD 25003 Specdb::NmrOneD 25004 Specdb::NmrOneD 25005 Specdb::NmrOneD 25006 Specdb::NmrOneD 25007 Specdb::NmrOneD 25008 Specdb::NmrOneD 25009 Specdb::NmrOneD 25010 Specdb::NmrOneD 25011 Specdb::NmrOneD 25012 Specdb::NmrOneD 25013 Specdb::NmrOneD 25014 Specdb::NmrOneD 25015 Specdb::NmrOneD 25016 Specdb::NmrOneD 25017 Specdb::NmrOneD 25018 Specdb::NmrOneD 25019 Specdb::NmrOneD 25020 Specdb::NmrOneD 25021 HMDB38126 #<Reference:0x000055ce334e4cb8> Beverages Unknown generic Fruits Unknown generic