1.0 2010-04-08 22:05:06 UTC 2019-11-26 02:56:40 UTC FDB001783 3-Methoxy-4-hydroxyphenylacetic acid Homovanillic acid is a major catecholamine metabolite. 3-Methoxy-4-hydroxyphenylacetic acid is found in beer, olive, and avocado. (4-Hydroxy-3-methoxyphenyl)acetate (4-Hydroxy-3-methoxyphenyl)acetic acid 3-Methoxy-4-hydroxy-phenylacetic acid 3-Methoxy-4-hydroxyphenylacetate 4-Hydroxy-3-methoxybenzeneacetate 4-Hydroxy-3-methoxybenzeneacetic acid 4-Hydroxy-3-methoxyphenylacetic acid HMPA Homovanilate Homovanilic acid Homovanillate Homovanillic acid Homovanillinic acid HVA Vanilacetate Vanilacetic acid Vanillacetic acid C9H10O4 182.1733 182.057908808 2-(4-hydroxy-3-methoxyphenyl)acetic acid homovanillic acid 306-08-1 COC1=CC(CC(O)=O)=CC=C1O InChI=1S/C9H10O4/c1-13-8-4-6(5-9(11)12)2-3-7(8)10/h2-4,10H,5H2,1H3,(H,11,12) QRMZSPFSDQBLIX-UHFFFAOYSA-N belongs to the class of organic compounds known as methoxyphenols. Methoxyphenols are compounds containing a methoxy group attached to the benzene ring of a phenol moiety. Methoxyphenols Organic compounds Benzenoids Phenols Methoxyphenols Aromatic homomonocyclic compounds 1-hydroxy-2-unsubstituted benzenoids Alkyl aryl ethers Anisoles Carbonyl compounds Carboxylic acids Hydrocarbon derivatives Methoxybenzenes Monocarboxylic acids and derivatives Organic oxides Phenoxy compounds 1-hydroxy-2-unsubstituted benzenoid Alkyl aryl ether Anisole Aromatic homomonocyclic compound Carbonyl group Carboxylic acid Carboxylic acid derivative Ether Hydrocarbon derivative Methoxybenzene Methoxyphenol Monocarboxylic acid or derivatives Monocyclic benzene moiety Organic oxide Organic oxygen compound Organooxygen compound Phenol ether Phenoxy compound monocarboxylic acid monomethoxybenzene phenols logp 1.02 ALOGPS logs -1.83 ALOGPS solubility 2.72e+00 g/l ALOGPS melting_point 138-140 oC logp 1.15 ChemAxon pka_strongest_acidic 3.74 ChemAxon pka_strongest_basic -4.9 ChemAxon iupac 2-(4-hydroxy-3-methoxyphenyl)acetic acid ChemAxon average_mass 182.1733 ChemAxon mono_mass 182.057908808 ChemAxon smiles COC1=CC(CC(O)=O)=CC=C1O ChemAxon formula C9H10O4 ChemAxon inchi InChI=1S/C9H10O4/c1-13-8-4-6(5-9(11)12)2-3-7(8)10/h2-4,10H,5H2,1H3,(H,11,12) ChemAxon inchikey QRMZSPFSDQBLIX-UHFFFAOYSA-N ChemAxon polar_surface_area 66.76 ChemAxon refractivity 45.81 ChemAxon polarizability 17.74 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 4 ChemAxon donor_count 2 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::NmrTwoD 958 Specdb::NmrTwoD 1148 Specdb::MsIr 183 Specdb::MsIr 184 Specdb::MsIr 185 Specdb::EiMs 952 Specdb::NmrOneD 1090 Specdb::NmrOneD 2330 Specdb::NmrOneD 3031 Specdb::NmrOneD 5071 Specdb::NmrOneD 5072 Specdb::NmrOneD 142270 Specdb::NmrOneD 142271 Specdb::NmrOneD 142272 Specdb::NmrOneD 142273 Specdb::NmrOneD 142274 Specdb::NmrOneD 142275 Specdb::NmrOneD 142276 Specdb::NmrOneD 142277 Specdb::NmrOneD 142278 Specdb::NmrOneD 142279 Specdb::NmrOneD 142280 Specdb::NmrOneD 142281 Specdb::NmrOneD 142282 Specdb::NmrOneD 142283 Specdb::NmrOneD 142284 Specdb::NmrOneD 142285 Specdb::NmrOneD 142286 Specdb::NmrOneD 142287 Specdb::NmrOneD 142288 Specdb::NmrOneD 142289 Specdb::CMs 333 Specdb::CMs 1439 Specdb::CMs 2673 Specdb::CMs 27758 Specdb::CMs 30084 Specdb::CMs 30626 Specdb::CMs 31003 Specdb::CMs 32275 Specdb::CMs 37301 Specdb::CMs 151887 Specdb::CMs 1050349 Specdb::CMs 1050351 Specdb::CMs 1050353 Specdb::CMs 1050355 Specdb::CMs 1050357 Specdb::MsMs 168 Specdb::MsMs 169 Specdb::MsMs 170 Specdb::MsMs 2903 Specdb::MsMs 2904 Specdb::MsMs 2905 Specdb::MsMs 2906 Specdb::MsMs 2907 Specdb::MsMs 10931 Specdb::MsMs 10932 Specdb::MsMs 10933 Specdb::MsMs 17603 Specdb::MsMs 17604 Specdb::MsMs 17605 Specdb::MsMs 437860 Specdb::MsMs 437861 Specdb::MsMs 437862 Specdb::MsMs 437863 Specdb::MsMs 437864 Specdb::MsMs 439681 Specdb::MsMs 439682 Specdb::MsMs 440166 Specdb::MsMs 2235866 Specdb::MsMs 2237219 Specdb::MsMs 2237495 HMDB00118 Anatidae Type 1 specific Anatidae 8830 Avocado Type 1 specific Persea americana 3435 Beefalo Type 1 specific Bos taurus X Bison bison 297284 Beer Type 2 specific 0.291767 0.411 0.0533 mg/100 g 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 Milk (Cow) Type 2 specific Mountain hare Type 1 specific Lepus timidus 62621 Mule deer Type 1 specific Odocoileus 9871 Olive Type 1 specific Olea europaea 4146 17.838181 73.5 0.01075 mg/100 g 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