1.0 2016-09-30 22:50:52 UTC 2020-04-22 15:09:39 UTC BMDB0002072 BMDB02072 4-Methoxyphenylacetic acid (4-Methoxyphenyl)acetic acid (p-Methoxyphenyl)acetic acid 2-(p-Anisyl)acetic acid 4-Methoxybenzeneacetic acid Homoanisic acid p-Methoxy-alpha-toluic acid p-Methoxyphenylacetic acid (4-Methoxyphenyl)acetate (p-Methoxyphenyl)acetate 2-(p-Anisyl)acetate 4-Methoxybenzeneacetate Homoanisate p-Methoxy-a-toluate p-Methoxy-a-toluic acid p-Methoxy-alpha-toluate p-Methoxy-α-toluate p-Methoxy-α-toluic acid p-Methoxyphenylacetate 4-Methoxyphenylacetate 3-Methoxyphenylacetic acid, potassium salt 3-Methoxyphenylacetic acid (4-Methoxy-phenyl)-acetate (4-Methoxy-phenyl)-acetic acid 4-Methoxy phenylacetic acid 4-Methoxy-benzeneacetate 4-Methoxy-benzeneacetic acid homo-P-Anisic acid P-Methoxyphenyl-acetate P-Methoxyphenyl-acetic acid C9H10O3 166.1739 166.062994186 2-(4-methoxyphenyl)acetic acid 4-methoxyphenylacetic acid 104-01-8 COC1=CC=C(CC(O)=O)C=C1 InChI=1S/C9H10O3/c1-12-8-4-2-7(3-5-8)6-9(10)11/h2-5H,6H2,1H3,(H,10,11) NRPFNQUDKRYCNX-UHFFFAOYSA-N belongs to the class of organic compounds known as anisoles. These are organic compounds containing a methoxybenzene or a derivative thereof. Organic compounds Benzenoids Phenol ethers Anisoles Anisoles Alkyl aryl ethers Carbonyl compounds Carboxylic acids Hydrocarbon derivatives Methoxybenzenes Monocarboxylic acids and derivatives Organic oxides Phenoxy compounds Alkyl aryl ether Anisole Aromatic homomonocyclic compound Carbonyl group Carboxylic acid Carboxylic acid derivative Ether Hydrocarbon derivative Methoxybenzene Monocarboxylic acid or derivatives Monocyclic benzene moiety Organic oxide Organic oxygen compound Organooxygen compound Phenoxy compound Aromatic homomonocyclic compounds monocarboxylic acid monomethoxybenzene Solid melting_point 87 °C water_solubility 18 mg/mL logp 1.42 HANSCH,C ET AL. (1995) logp 1.73 ALOGPS logs -2.07 ALOGPS logp 1.45 ChemAxon pka_strongest_acidic 4.12 ChemAxon pka_strongest_basic -4.8 ChemAxon iupac 2-(4-methoxyphenyl)acetic acid ChemAxon average_mass 166.1739 ChemAxon mono_mass 166.062994186 ChemAxon smiles COC1=CC=C(CC(O)=O)C=C1 ChemAxon formula C9H10O3 ChemAxon inchi InChI=1S/C9H10O3/c1-12-8-4-2-7(3-5-8)6-9(10)11/h2-5H,6H2,1H3,(H,10,11) ChemAxon inchikey NRPFNQUDKRYCNX-UHFFFAOYSA-N ChemAxon polar_surface_area 46.53 ChemAxon refractivity 43.83 ChemAxon polarizability 16.86 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 3 ChemAxon donor_count 1 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon number_of_rings 1 ChemAxon bioavailability 1 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::NmrTwoD 1786 Specdb::NmrOneD 1846 Specdb::CMs 14596 Specdb::CMs 29674 Specdb::CMs 38255 Specdb::CMs 99750 Specdb::CMs 149776 Specdb::MsMs 1981 Specdb::MsMs 1982 Specdb::MsMs 1983 Specdb::MsMs 298264 Specdb::MsMs 298265 Specdb::MsMs 298266 Specdb::MsMs 339997 Specdb::MsMs 339998 Specdb::MsMs 339999 Specdb::MsMs 2746366 Specdb::MsMs 2746367 Specdb::MsMs 2746368 Specdb::MsMs 2932122 Specdb::MsMs 2932123 Specdb::MsMs 2932124 Specdb::MsIr 1586 Specdb::MsIr 1587 Specdb::MsIr 1588 FDB022832 7406 55501 7690 6472