1.0 2010-04-08 22:11:32 UTC 2019-11-26 03:10:53 UTC FDB014903 Genipic acid Isolated from the jagua fruit Genipa americana. Genipic acid is found in beverages and fruits. 2-Hydroxy-3-oxabicyclo[3.3.0]oct-1(5)-eneacetic acid C9H12O4 184.1892 184.073558872 2-{3-hydroxy-1H,3H,4H,5H,6H-cyclopenta[c]furan-4-yl}acetic acid {3-hydroxy-1H,3H,4H,5H,6H-cyclopenta[c]furan-4-yl}acetic acid 6902-76-7 OC1OCC2=C1C(CC(O)=O)CC2 InChI=1S/C9H12O4/c10-7(11)3-5-1-2-6-4-13-9(12)8(5)6/h5,9,12H,1-4H2,(H,10,11) KWBASGHXHPTPGU-UHFFFAOYSA-N belongs to the class of organic compounds known as dihydrofurans. Dihydrofurans are compounds containing a dihydrofuran moiety, which is a furan derivative with only one double bond. Dihydrofurans Organic compounds Organoheterocyclic compounds Dihydrofurans Aliphatic heteropolycyclic compounds Carbonyl compounds Carboxylic acids Hemiacetals Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Oxacyclic compounds Aliphatic heteropolycyclic compound Carbonyl group Carboxylic acid Carboxylic acid derivative Dihydrofuran Hemiacetal Hydrocarbon derivative Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Oxacycle logp -0.08 ALOGPS logs -1.12 ALOGPS solubility 1.39e+01 g/l ALOGPS logp -0.0051 ChemAxon pka_strongest_acidic 4.26 ChemAxon pka_strongest_basic -4.2 ChemAxon iupac 2-{3-hydroxy-1H,3H,4H,5H,6H-cyclopenta[c]furan-4-yl}acetic acid ChemAxon average_mass 184.1892 ChemAxon mono_mass 184.073558872 ChemAxon smiles OC1OCC2=C1C(CC(O)=O)CC2 ChemAxon formula C9H12O4 ChemAxon inchi InChI=1S/C9H12O4/c10-7(11)3-5-1-2-6-4-13-9(12)8(5)6/h5,9,12H,1-4H2,(H,10,11) ChemAxon inchikey KWBASGHXHPTPGU-UHFFFAOYSA-N ChemAxon polar_surface_area 66.76 ChemAxon refractivity 44.57 ChemAxon polarizability 18.31 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 4 ChemAxon donor_count 2 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 10403 Specdb::CMs 44711 Specdb::CMs 163350 Specdb::MsMs 106986 Specdb::MsMs 106987 Specdb::MsMs 106988 Specdb::MsMs 173853 Specdb::MsMs 173854 Specdb::MsMs 173855 Specdb::MsMs 2732826 Specdb::MsMs 2732827 Specdb::MsMs 2732828 Specdb::MsMs 2972289 Specdb::MsMs 2972290 Specdb::MsMs 2972291 Specdb::NmrOneD 133458 Specdb::NmrOneD 133459 Specdb::NmrOneD 133460 Specdb::NmrOneD 133461 Specdb::NmrOneD 133462 Specdb::NmrOneD 133463 Specdb::NmrOneD 133464 Specdb::NmrOneD 133465 Specdb::NmrOneD 133466 Specdb::NmrOneD 133467 Specdb::NmrOneD 133468 Specdb::NmrOneD 133469 Specdb::NmrOneD 133470 Specdb::NmrOneD 133471 Specdb::NmrOneD 133472 Specdb::NmrOneD 133473 Specdb::NmrOneD 133474 Specdb::NmrOneD 133475 Specdb::NmrOneD 133476 Specdb::NmrOneD 133477 HMDB36072 #<Reference:0x000055ce31cbd770> Beverages Unknown generic Fruits Unknown generic