1.0 2011-09-21 00:21:43 UTC 2015-10-09 22:31:31 UTC FDB022919 3-Phenoxypropionic acid 3-Phenoxypropionic acid is a histamine H3 (H3 receptors controls histaminergic neuron activity) receptor antagonist (PMID 16246552) [HMDB] 3-phenoxy-propanoate 3-phenoxy-propanoic acid 3-phenoxypropanoate 3-phenoxypropanoic acid 3-Phenoxypropionate b-phenoxypropionate b-phenoxypropionic acid beta-phenoxypropionate beta-phenoxypropionic acid C9H10O3 166.1739 166.062994186 3-phenoxypropanoic acid β-phenoxypropionic acid 7170-38-9 OC(=O)CCOC1=CC=CC=C1 InChI=1S/C9H10O3/c10-9(11)6-7-12-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,10,11) BUSOTUQRURCMCM-UHFFFAOYSA-N belongs to the class of organic compounds known as 3-phenoxypropionic acids. These are aromatic compounds containing a 3-phenoxypropionic acid. 3-phenoxypropionic acids Organic compounds Benzenoids Benzene and substituted derivatives 3-phenoxypropionic acids Aromatic homomonocyclic compounds Alkyl aryl ethers Carbonyl compounds Carboxylic acids Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Phenol ethers Phenoxy compounds 3-phenoxypropionic acid Alkyl aryl ether Aromatic homomonocyclic compound Carbonyl group Carboxylic acid Carboxylic acid derivative Ether Hydrocarbon derivative Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Phenol ether Phenoxy compound Solid logp 1.52 ALOGPS logs -1.66 ALOGPS solubility 3.62e+00 g/l ALOGPS logp 1.53 ChemAxon pka_strongest_acidic 4.21 ChemAxon pka_strongest_basic -4.8 ChemAxon iupac 3-phenoxypropanoic acid ChemAxon average_mass 166.1739 ChemAxon mono_mass 166.062994186 ChemAxon smiles OC(=O)CCOC1=CC=CC=C1 ChemAxon formula C9H10O3 ChemAxon inchi InChI=1S/C9H10O3/c10-9(11)6-7-12-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,10,11) ChemAxon inchikey BUSOTUQRURCMCM-UHFFFAOYSA-N ChemAxon polar_surface_area 46.53 ChemAxon refractivity 43.31 ChemAxon polarizability 16.96 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 3 ChemAxon donor_count 1 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::NmrOneD 1867 Specdb::NmrTwoD 1806 Specdb::CMs 12913 Specdb::CMs 38330 Specdb::CMs 171067 Specdb::MsIr 1695 Specdb::MsIr 1696 Specdb::MsIr 1697 Specdb::MsMs 2040 Specdb::MsMs 2041 Specdb::MsMs 2042 Specdb::MsMs 294358 Specdb::MsMs 294359 Specdb::MsMs 294360 Specdb::MsMs 335047 Specdb::MsMs 335048 Specdb::MsMs 335049 Specdb::MsMs 2837697 Specdb::MsMs 2837698 Specdb::MsMs 2837699 Specdb::MsMs 2868726 Specdb::MsMs 2868727 Specdb::MsMs 2868728 HMDB02229 #<Reference:0x000055ce32a92530>