1.0 2016-09-30 22:29:33 UTC 2020-04-22 15:03:14 UTC BMDB0000375 BMDB00375 3-(3-Hydroxyphenyl)propanoic acid 3-(3-Hydroxy-phenyl)-propanoic acid 3-(m-Hydroxyphenyl)propionic acid beta-(m-Hydroxyphenyl)propionic acid Dihydro-3-coumaric acid 3-Hydroxyphenylpropanoate 3-(3-Hydroxyphenyl)propanoate 3-(3-Hydroxy-phenyl)-propanoate 3-(3-Hydroxyphenyl)propionate 3-(m-Hydroxyphenyl)propionate b-(m-Hydroxyphenyl)propionate b-(m-Hydroxyphenyl)propionic acid beta-(m-Hydroxyphenyl)propionate Β-(m-hydroxyphenyl)propionate Β-(m-hydroxyphenyl)propionic acid Dihydro-3-coumarate 3-Hydroxyphenylpropanoic acid 3-(3-Hydroxy-phenyl)-propionic acid 3-Hydroxybenzenepropanoate 3-Hydroxybenzenepropanoic acid 3-Hydroxydihydrocinnamate 3-Hydroxydihydrocinnamic acid 3-Hydroxyhydrocinnamic acid 3-Hydroxyphenylpropionate 3-Hydroxyphenylpropionic acid b-(3-Hydroxyphenyl)propionate b-(3-Hydroxyphenyl)propionic acid beta-(3-Hydroxyphenyl)propionate beta-(3-Hydroxyphenyl)propionic acid dihydro-m-Coumarate dihydro-m-Coumaric acid m-Hydrocoumaric acid m-Hydroxy-hydrocinnamate m-Hydroxy-hydrocinnamic acid m-Hydroxyphenylpropionate m-Hydroxyphenylpropionic acid dihydro-3-Coumaric acid, monosodium salt 3-(3'-Hydroxyphenyl)propanoic acid 3-(3-Hydroxyphenyl)propanoic acid C9H10O3 166.1739 166.062994186 3-(3-hydroxyphenyl)propanoic acid 3-hydroxyphenylpropionic acid 621-54-5 OC(=O)CCC1=CC(O)=CC=C1 InChI=1S/C9H10O3/c10-8-3-1-2-7(6-8)4-5-9(11)12/h1-3,6,10H,4-5H2,(H,11,12) QVWAEZJXDYOKEH-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 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Benzene and substituted derivatives Carbonyl compounds Carboxylic acids Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 3-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 Phenol Aromatic homomonocyclic compounds monocarboxylic acid Solid logp 1.14 ALOGPS logs -1.77 ALOGPS logp 1.75 ChemAxon pka_strongest_acidic 4.21 ChemAxon pka_strongest_basic -6 ChemAxon iupac 3-(3-hydroxyphenyl)propanoic acid ChemAxon average_mass 166.1739 ChemAxon mono_mass 166.062994186 ChemAxon smiles OC(=O)CCC1=CC(O)=CC=C1 ChemAxon formula C9H10O3 ChemAxon inchi InChI=1S/C9H10O3/c10-8-3-1-2-7(6-8)4-5-9(11)12/h1-3,6,10H,4-5H2,(H,11,12) ChemAxon inchikey QVWAEZJXDYOKEH-UHFFFAOYSA-N ChemAxon polar_surface_area 57.53 ChemAxon refractivity 43.95 ChemAxon polarizability 16.92 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 3 ChemAxon donor_count 2 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::MsMs 26690 Specdb::MsMs 26691 Specdb::MsMs 26692 Specdb::MsMs 33248 Specdb::MsMs 33249 Specdb::MsMs 33250 Specdb::MsMs 2252852 Specdb::MsMs 2253606 Specdb::MsMs 2254967 Specdb::MsMs 2255632 Specdb::MsMs 2811599 Specdb::MsMs 2811600 Specdb::MsMs 2811601 Specdb::MsMs 2894726 Specdb::MsMs 2894727 Specdb::MsMs 2894728 Specdb::MsIr 460 Specdb::MsIr 461 Specdb::MsIr 462 Specdb::CMs 5608 Specdb::CMs 29889 Specdb::CMs 31859 Specdb::CMs 37477 Specdb::CMs 99566 Specdb::CMs 99567 Specdb::CMs 155067 Specdb::CMs 1059869 Specdb::CMs 1059871 Specdb::CMs 1059872 Specdb::CMs 1059874 Specdb::CMs 1059876 Specdb::NmrOneD 143690 Specdb::NmrOneD 143691 Specdb::NmrOneD 143692 Specdb::NmrOneD 143693 Specdb::NmrOneD 143694 Specdb::NmrOneD 143695 Specdb::NmrOneD 143696 Specdb::NmrOneD 143697 Specdb::NmrOneD 143698 Specdb::NmrOneD 143699 Specdb::NmrOneD 143700 Specdb::NmrOneD 143701 Specdb::NmrOneD 143702 Specdb::NmrOneD 143703 Specdb::NmrOneD 143704 Specdb::NmrOneD 143705 Specdb::NmrOneD 143706 Specdb::NmrOneD 143707 Specdb::NmrOneD 143708 Specdb::NmrOneD 143709 FDB021993 89 1427 91 C11457 C00052683 3-HYDROXYPHENYL-PROPIONATE Dombrow, M.; Linnell, W. H. Preparation of m-hydroxyphenylpropionic acid. Journal of Pharmacy and Pharmacology (1952), 4 118-19.