1.0 2011-09-21 01:39:29 UTC 2015-10-09 22:33:38 UTC FDB028418 2-Phenylpropionate 2-Phenylpropionate is an intermediate in alpha-Methylstyrene (2-phenylpropylene) metabolism. It was identified in human liver slices in small amounts. It is likely that 2-Phenylpropionate derives from 2-phenylpropionaldehyde, formed from a 1,2-hydride shift during the transfer of active oxygen to the vinyl group, as has been proposed for the cytochrome P450-mediated oxidation of styrene to form phenylacetaldehyde. (PMID: 11159807) [HMDB] (+-)-Hydratropasaeure (+-)-Hydratropate (+-)-hydratropic acid 2-Phenylpropanoate 2-Phenylpropanoic acid 2-Phenylpropionic acid 2-Phenylpropionic acid [MeSH: hydratropic acid] a-Methylbenzeneacetate a-Methylbenzeneacetic acid a-Methylphenylacetate a-Methylphenylacetic acid a-Phenylpropionate a-Phenylpropionic acid alpha-Methylbenzeneacetate alpha-Methylbenzeneacetic acid alpha-Methylphenylacetate alpha-Methylphenylacetic acid alpha-Phenylpropioate alpha-Phenylpropioic acid alpha-Phenylpropionate alpha-Phenylpropionic acid Hydratropasaeure Hydratropic acid Hydratropic acid [MeSH: hydratropic acid] Phenylpropionate α-methylbenzeneacetate α-methylbenzeneacetic acid α-methylphenylacetate α-methylphenylacetic acid α-phenylpropionate α-phenylpropionic acid C9H10O2 150.1745 150.068079564 2-phenylpropanoic acid 2-phenylpropionic acid 492-37-5 CC(C(O)=O)C1=CC=CC=C1 InChI=1S/C9H10O2/c1-7(9(10)11)8-5-3-2-4-6-8/h2-7H,1H3,(H,10,11) YPGCWEMNNLXISK-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 Benzene and substituted derivatives Carbonyl compounds Carboxylic acids Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides 2-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 2-arylpropionic acid Solid logp 2.17 ALOGPS logs -1.72 ALOGPS solubility 2.85e+00 g/l ALOGPS logp 2.15 ChemAxon pka_strongest_acidic 4.59 ChemAxon iupac 2-phenylpropanoic acid ChemAxon average_mass 150.1745 ChemAxon mono_mass 150.068079564 ChemAxon smiles CC(C(O)=O)C1=CC=CC=C1 ChemAxon formula C9H10O2 ChemAxon inchi InChI=1S/C9H10O2/c1-7(9(10)11)8-5-3-2-4-6-8/h2-7H,1H3,(H,10,11) ChemAxon inchikey YPGCWEMNNLXISK-UHFFFAOYSA-N ChemAxon polar_surface_area 37.3 ChemAxon refractivity 41.94 ChemAxon polarizability 15.77 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 22536 Specdb::CMs 30032 Specdb::CMs 39792 Specdb::CMs 99988 Specdb::CMs 167238 Specdb::MsIr 2596 Specdb::MsIr 2597 Specdb::MsIr 2598 Specdb::MsMs 73284 Specdb::MsMs 73285 Specdb::MsMs 73286 Specdb::MsMs 132426 Specdb::MsMs 132427 Specdb::MsMs 132428 Specdb::MsMs 1472139 Specdb::MsMs 1472140 Specdb::MsMs 1472141 Specdb::MsMs 1472142 Specdb::MsMs 1476472 Specdb::MsMs 1476473 Specdb::MsMs 1476474 Specdb::MsMs 1476475 Specdb::MsMs 1476476 Specdb::MsMs 1476477 Specdb::MsMs 1476478 Specdb::MsMs 1476479 Specdb::MsMs 2295935 Specdb::MsMs 2295936 Specdb::MsMs 2295937 Specdb::MsMs 2643246 Specdb::MsMs 2643247 Specdb::MsMs 2643248 Specdb::NmrOneD 94432 Specdb::NmrOneD 94433 Specdb::NmrOneD 94434 Specdb::NmrOneD 94435 Specdb::NmrOneD 94436 Specdb::NmrOneD 94437 Specdb::NmrOneD 94438 Specdb::NmrOneD 94439 Specdb::NmrOneD 94440 Specdb::NmrOneD 94441 Specdb::NmrOneD 94442 Specdb::NmrOneD 94443 Specdb::NmrOneD 94444 Specdb::NmrOneD 94445 Specdb::NmrOneD 94446 Specdb::NmrOneD 94447 Specdb::NmrOneD 94448 Specdb::NmrOneD 94449 Specdb::NmrOneD 94450 Specdb::NmrOneD 94451 HMDB11743 #<Reference:0x000055ce3286bdd8> 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