1.0 2019-08-19 19:36:22 UTC 2025-11-19 03:05:10 UTC FDB084412 3,5-Dihydroxyphenylpropionic acid C9H10O4 182.175 182.057908802 3-(3,5-dihydroxyphenyl)propanoic acid 3-(3,5-dihydroxyphenyl)propanoic acid OC(=O)CCC1=CC(O)=CC(O)=C1 InChI=1S/C9H10O4/c10-7-3-6(1-2-9(12)13)4-8(11)5-7/h3-5,10-11H,1-2H2,(H,12,13) ITPFIKQWNDGDLG-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 1-hydroxy-4-unsubstituted benzenoids Benzene and substituted derivatives Carbonyl compounds Carboxylic acids Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Resorcinols 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 3-phenylpropanoic-acid Aromatic homomonocyclic compound Benzenoid Carbonyl group Carboxylic acid Carboxylic acid derivative Hydrocarbon derivative Monocarboxylic acid or derivatives Monocyclic benzene moiety Organic oxide Organic oxygen compound Organooxygen compound Phenol Resorcinol logp 0.99 ALOGPS logs -1.77 ALOGPS solubility 3.08e+00 g/l ALOGPS logp 1.45 ChemAxon pka_strongest_acidic 3.82 ChemAxon pka_strongest_basic -5.7 ChemAxon iupac 3-(3,5-dihydroxyphenyl)propanoic acid ChemAxon average_mass 182.175 ChemAxon mono_mass 182.057908802 ChemAxon smiles OC(=O)CCC1=CC(O)=CC(O)=C1 ChemAxon formula C9H10O4 ChemAxon inchi InChI=1S/C9H10O4/c10-7-3-6(1-2-9(12)13)4-8(11)5-7/h3-5,10-11H,1-2H2,(H,12,13) ChemAxon inchikey ITPFIKQWNDGDLG-UHFFFAOYSA-N ChemAxon polar_surface_area 77.76 ChemAxon refractivity 45.93 ChemAxon polarizability 17.89 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 4 ChemAxon donor_count 3 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 5962 Specdb::CMs 51279 Specdb::CMs 174406 Specdb::NmrOneD 71232 Specdb::NmrOneD 71233 Specdb::NmrOneD 71234 Specdb::NmrOneD 71235 Specdb::NmrOneD 71236 Specdb::NmrOneD 71237 Specdb::NmrOneD 71238 Specdb::NmrOneD 71239 Specdb::NmrOneD 71240 Specdb::NmrOneD 71241 Specdb::NmrOneD 71242 Specdb::NmrOneD 71243 Specdb::NmrOneD 71244 Specdb::NmrOneD 71245 Specdb::NmrOneD 71246 Specdb::NmrOneD 71247 Specdb::NmrOneD 71248 Specdb::NmrOneD 71249 Specdb::NmrOneD 71250 Specdb::NmrOneD 71251 Specdb::MsIr 10768 Specdb::MsIr 10769 Specdb::MsIr 10770 Specdb::MsMs 241342 Specdb::MsMs 241343 Specdb::MsMs 241344 Specdb::MsMs 243397 Specdb::MsMs 243398 Specdb::MsMs 243399 Specdb::MsMs 2472237 Specdb::MsMs 2472238 Specdb::MsMs 2472239 Specdb::MsMs 2489637 Specdb::MsMs 2489638 Specdb::MsMs 2489639 Anatidae Type 1 specific Anatidae 8830 Beefalo Type 1 specific Bos taurus X Bison bison 297284 Bison Type 1 specific Bison bison 9901 Buffalo Type 1 specific Bubalus bubalis 89462 Cattle (Beef, Veal) Type 1 specific Bos taurus 9913 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