1.0 2010-04-08 22:12:51 UTC 2025-11-19 01:52:17 UTC FDB017136 xi-2-Hydroxyphloretic acid Constituent of wheat grains and various other plants. xi-2-Hydroxyphloretic acid is found in cereals and cereal products. xi-2-Hydroxy-3-(4-hydroxyphenyl)propanoic acid xi-2-Hydroxyphloretic acid C9H10O4 182.1733 182.057908808 2-hydroxy-3-(4-hydroxyphenyl)propanoic acid hydroxyphenyllactic acid 306-23-0 OC(CC1=CC=C(O)C=C1)C(O)=O InChI=1S/C9H10O4/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,8,10-11H,5H2,(H,12,13) JVGVDSSUAVXRDY-UHFFFAOYSA-N belongs to the class of organic compounds known as phenylpropanoic acids. Phenylpropanoic acids are compounds with a structure containing a benzene ring conjugated to a propanoic acid. Phenylpropanoic acids Organic compounds Phenylpropanoids and polyketides Phenylpropanoic acids Aromatic homomonocyclic compounds 1-hydroxy-2-unsubstituted benzenoids Alpha hydroxy acids and derivatives Benzene and substituted derivatives Carbonyl compounds Carboxylic acids Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Secondary alcohols 1-hydroxy-2-unsubstituted benzenoid 3-phenylpropanoic-acid Alcohol Alpha-hydroxy acid Aromatic homomonocyclic compound Benzenoid Carbonyl group Carboxylic acid Carboxylic acid derivative Hydrocarbon derivative Hydroxy acid Monocarboxylic acid or derivatives Monocyclic benzene moiety Organic oxide Organic oxygen compound Organooxygen compound Phenol Secondary alcohol 2-hydroxy carboxylic acid phenols logp 0.87 ALOGPS logs -1.58 ALOGPS solubility 4.79e+00 g/l ALOGPS logp 0.88 ChemAxon pka_strongest_acidic 3.58 ChemAxon pka_strongest_basic -3.8 ChemAxon iupac 2-hydroxy-3-(4-hydroxyphenyl)propanoic acid ChemAxon average_mass 182.1733 ChemAxon mono_mass 182.057908808 ChemAxon smiles OC(CC1=CC=C(O)C=C1)C(O)=O ChemAxon formula C9H10O4 ChemAxon inchi InChI=1S/C9H10O4/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,8,10-11H,5H2,(H,12,13) ChemAxon inchikey JVGVDSSUAVXRDY-UHFFFAOYSA-N ChemAxon polar_surface_area 77.76 ChemAxon refractivity 45.44 ChemAxon polarizability 17.51 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 4 ChemAxon donor_count 3 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::NmrTwoD 1470 Specdb::CMs 1614 Specdb::CMs 3035 Specdb::CMs 31221 Specdb::CMs 31843 Specdb::CMs 37746 Specdb::CMs 150439 Specdb::CMs 1074729 Specdb::CMs 1074731 Specdb::CMs 1074733 Specdb::CMs 1074734 Specdb::CMs 1074736 Specdb::CMs 1074738 Specdb::CMs 1074740 Specdb::CMs 1074742 Specdb::CMs 1074744 Specdb::CMs 1074746 Specdb::CMs 1074747 Specdb::CMs 1074749 Specdb::CMs 1074751 Specdb::MsIr 834 Specdb::MsIr 835 Specdb::MsIr 836 Specdb::MsMs 1083 Specdb::MsMs 1084 Specdb::MsMs 1085 Specdb::MsMs 4625 Specdb::MsMs 179355 Specdb::MsMs 179356 Specdb::MsMs 179357 Specdb::MsMs 181680 Specdb::MsMs 181681 Specdb::MsMs 181682 Specdb::MsMs 438662 Specdb::MsMs 439230 Specdb::MsMs 440174 Specdb::MsMs 2227268 Specdb::MsMs 2227434 Specdb::MsMs 2229619 Specdb::MsMs 2229873 Specdb::MsMs 2232044 Specdb::MsMs 2232139 Specdb::MsMs 2234456 Specdb::MsMs 2234485 Specdb::MsMs 2236631 Specdb::MsMs 2236720 Specdb::MsMs 2242884 Specdb::MsMs 2242974 Specdb::NmrOneD 1524 Specdb::NmrOneD 145230 Specdb::NmrOneD 145231 Specdb::NmrOneD 145232 Specdb::NmrOneD 145233 Specdb::NmrOneD 145234 Specdb::NmrOneD 145235 Specdb::NmrOneD 145236 Specdb::NmrOneD 145237 Specdb::NmrOneD 145238 Specdb::NmrOneD 145239 Specdb::NmrOneD 145240 Specdb::NmrOneD 145241 Specdb::NmrOneD 145242 Specdb::NmrOneD 145243 Specdb::NmrOneD 145244 Specdb::NmrOneD 145245 Specdb::NmrOneD 145246 Specdb::NmrOneD 145247 Specdb::NmrOneD 145248 Specdb::NmrOneD 145249 HMDB0000755 Anatidae Type 1 specific Anatidae 8830 Beefalo Type 1 specific Bos taurus X Bison bison 297284 Bison Type 1 specific Bison bison 9901 Breakfast cereal Type 2 specific Buffalo Type 1 specific Bubalus bubalis 89462 Cattle (Beef, Veal) Type 1 specific Bos taurus 9913 Cereals and cereal products Unknown generic Chicken Type 1 specific Gallus gallus 9031 Columbidae (Dove, Pigeon) Type 1 specific Columbidae 8930 Deer Type 1 specific Cervidae 9850 Domestic goat Type 1 specific Capra aegagrus hircus 9925 Domestic pig Type 1 specific Sus scrofa domestica 9825 Elk Type 1 specific Cervus canadensis 1574408 Emu Type 1 specific Dromaius novaehollandiae 8790 European rabbit Type 1 specific Oryctolagus 9984 Greylag goose Type 1 specific Anser anser 8843 Guinea hen Type 1 specific Numida meleagris 8996 Horse Type 1 specific Equus caballus 9796 Mallard duck Type 1 specific Anas platyrhynchos 8839 Mountain hare Type 1 specific Lepus timidus 62621 Mule deer Type 1 specific Odocoileus 9871 Ostrich Type 1 specific Struthio camelus 8801 Pheasant Type 1 specific Phasianus colchicus 9054 Quail Type 1 specific Phasianidae 9005 Rabbit Type 1 specific Leporidae 9979 Rock ptarmigan Type 1 specific Lagopus muta 64668 Sheep (Mutton, Lamb) Type 1 specific Ovis aries 9940 Squab Type 1 specific Columba 8931 Turkey Type 1 specific Meleagris gallopavo 9103 Velvet duck Type 1 specific Melanitta fusca 371864 Wild boar Type 1 specific Sus scrofa 9823