1.0 2016-10-03 18:23:54 UTC 2020-04-22 15:46:16 UTC BMDB0011743 BMDB11743 2-Phenylpropionate (+-)-Hydratropasaeure (+-)-Hydratropic acid 2-Phenylpropionic acid alpha-Methylbenzeneacetic acid alpha-Methylphenylacetic acid alpha-Phenylpropionic acid Hydratropasaeure (+-)-Hydratropate a-Methylbenzeneacetate a-Methylbenzeneacetic acid alpha-Methylbenzeneacetate Α-methylbenzeneacetate Α-methylbenzeneacetic acid a-Methylphenylacetate a-Methylphenylacetic acid alpha-Methylphenylacetate Α-methylphenylacetate Α-methylphenylacetic acid a-Phenylpropionate a-Phenylpropionic acid alpha-Phenylpropionate Α-phenylpropionate Α-phenylpropionic acid 2-Phenylpropanoate 2-Phenylpropanoic acid alpha-Phenylpropioate alpha-Phenylpropioic acid Hydratropic acid Phenylpropionate Hydratropic acid, (R)-isomer Hydratropic acid, (+-)-isomer Hydratropic acid, (S)-isomer Hydratropate 2-Phenylpropionate 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. Organic compounds Phenylpropanoids and polyketides Phenylpropanoic acids Phenylpropanoic acids 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 Aromatic homomonocyclic compounds 2-arylpropionic acid Solid logp 2.17 ALOGPS logs -1.72 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 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::MsIr 2596 Specdb::MsIr 2597 Specdb::MsIr 2598 Specdb::CMs 22536 Specdb::CMs 30032 Specdb::CMs 39792 Specdb::CMs 99988 Specdb::CMs 167238 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 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 FDB028418 9874 10296 48526 Phenylpropanoic acid