1.0 2016-09-30 23:01:05 UTC 2020-04-22 15:11:13 UTC BMDB0002643 BMDB02643 3-(3-hydroxyphenyl)-3-hydroxypropanoic acid (3-Hydroxyphenyl)hydracrylic acid 3'-Hydroxyphenylhydracrylic acid 3-(m-Hydroxyphenyl)hydracrylic acid 3-Hydroxyphenyl-hydracrylic acid b-(m-Hydroxyphenyl)hydracrylic acid beta-(m-Hydroxyphenyl)hydracrylic acid HPHPA (3-Hydroxyphenyl)hydracrylate 3'-Hydroxyphenylhydracrylate 3-(3-Hydroxyphenyl)-3-hydroxypropionate 3-(3-Hydroxyphenyl)hydracrylate 3-(m-Hydroxyphenyl)hydracrylate 3-Hydroxy-3-(3-hydroxyphenyl)propionate 3-Hydroxyphenyl-hydracrylate b-(m-Hydroxyphenyl)hydracrylate beta-(m-Hydroxyphenyl)hydracrylate Β-(m-hydroxyphenyl)hydracrylate Β-(m-hydroxyphenyl)hydracrylic acid 3-(3-Hydroxyphenyl)-3-hydroxypropanoate HPHPA CPD beta-(Meta-hydroxyphenyl)hydracrylic acid MHPHA 3-Hydroxy-3-(3'-hydroxyphenyl)propanoic acid 3-Hydroxy-3-(3-hydroxyphenyl)propanoic acid C9H10O4 182.1733 182.057908808 3-hydroxy-3-(3-hydroxyphenyl)propanoic acid mhpha 3247-75-4 OC(CC(O)=O)C1=CC(O)=CC=C1 InChI=1S/C9H10O4/c10-7-3-1-2-6(4-7)8(11)5-9(12)13/h1-4,8,10-11H,5H2,(H,12,13) KHTAGVZHYUZYMF-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 Aromatic alcohols Benzene and substituted derivatives Beta hydroxy acids and derivatives Carbonyl compounds Carboxylic acids Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Secondary alcohols 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 3-phenylpropanoic-acid Alcohol Aromatic alcohol Aromatic homomonocyclic compound Benzenoid Beta-hydroxy acid Carbonyl group Carboxylic acid Carboxylic acid derivative Hydrocarbon derivative Hydroxy acid Monocarboxylic acid or derivatives Monocyclic benzene moiety Organic oxide Organic oxygen compound Organooxygen compound Phenol Secondary alcohol Aromatic homomonocyclic compounds dihydroxy monocarboxylic acid phenols Solid logp 0.68 ALOGPS logs -1.46 ALOGPS logp 0.68 ChemAxon pka_strongest_acidic 3.94 ChemAxon pka_strongest_basic -3.2 ChemAxon iupac 3-hydroxy-3-(3-hydroxyphenyl)propanoic acid ChemAxon average_mass 182.1733 ChemAxon mono_mass 182.057908808 ChemAxon smiles OC(CC(O)=O)C1=CC(O)=CC=C1 ChemAxon formula C9H10O4 ChemAxon inchi InChI=1S/C9H10O4/c10-7-3-1-2-6(4-7)8(11)5-9(12)13/h1-4,8,10-11H,5H2,(H,12,13) ChemAxon inchikey KHTAGVZHYUZYMF-UHFFFAOYSA-N ChemAxon polar_surface_area 77.76 ChemAxon refractivity 45.31 ChemAxon polarizability 17.31 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 4 ChemAxon donor_count 3 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 1832 Specdb::MsIr 1809 Specdb::MsIr 1810 Specdb::MsMs 86574 Specdb::MsMs 86575 Specdb::MsMs 86576 Specdb::MsMs 148899 Specdb::MsMs 148900 Specdb::MsMs 148901 Specdb::MsMs 2400920 Specdb::MsMs 2400921 Specdb::MsMs 2400922 Specdb::MsMs 2537885 Specdb::MsMs 2537886 Specdb::MsMs 2537887 Specdb::CMs 5710 Specdb::CMs 38451 Specdb::CMs 135625 Specdb::CMs 143359 Specdb::NmrOneD 1896 Specdb::NmrOneD 122718 Specdb::NmrOneD 122719 Specdb::NmrOneD 122720 Specdb::NmrOneD 122721 Specdb::NmrOneD 122722 Specdb::NmrOneD 122723 Specdb::NmrOneD 122724 Specdb::NmrOneD 122725 Specdb::NmrOneD 122726 Specdb::NmrOneD 122727 Specdb::NmrOneD 122728 Specdb::NmrOneD 122729 Specdb::NmrOneD 122730 Specdb::NmrOneD 122731 Specdb::NmrOneD 122732 Specdb::NmrOneD 122733 Specdb::NmrOneD 122734 Specdb::NmrOneD 122735 Specdb::NmrOneD 122736 Specdb::NmrOneD 122737 Specdb::NmrOneD 166335 Specdb::NmrOneD 166661 Specdb::NmrOneD 166663 FDB023037 93013 102959 86369 6729