1.0 2010-04-08 22:09:53 UTC 2019-11-26 03:05:40 UTC FDB011887 3-(2-Hydroxyphenyl)propanoic acid Found in Melilotus alba (whilte melilot) &beta;-(o-hydroxyphenyl)propionic acid 2-Hydroxy-benzenepropanoic acid 2-Hydroxybenzenepropanoate 2-hydroxybenzenepropanoic acid 2-Hydroxybenzenepropanoic acid, 9CI 2-Hydroxyphenylpropanoate 3-(2-Hydroxyphenyl) propanoic acid 3-(2-Hydroxyphenyl) propionate 3-(2-Hydroxyphenyl)propanoate 3-(2-Hydroxyphenyl)propionate 3-(2-Hydroxyphenyl)propionic acid 3-(O-Hydroxyphenyl) propionate 3-(o-Hydroxyphenyl) propionic acid 3-(o-Hydroxyphenyl)propionic acid, 8CI Benzenepropanoic acid, 2-hydroxy- beta -(O-Hydroxyphenyl)propionic acid Beta-(o-hydroxyphenyl)propionic acid Hydrocoumaric acid Melilotate Melilotic acid o-Hydroxyhydrocinnamic acid O-Hydroxyphenylpropionate O-hydroxyphenylpropionic acid C9H10O3 166.1739 166.062994186 3-(2-hydroxyphenyl)propanoic acid melilotic acid 495-78-3 OC(=O)CCC1=CC=CC=C1O InChI=1S/C9H10O3/c10-8-4-2-1-3-7(8)5-6-9(11)12/h1-4,10H,5-6H2,(H,11,12) CJBDUOMQLFKVQC-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 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 monocarboxylic acid phenols logp 1.12 ALOGPS logs -1.78 ALOGPS solubility 2.76e+00 g/l ALOGPS melting_point Mp 82-83° logp 1.75 ChemAxon pka_strongest_acidic 4.22 ChemAxon pka_strongest_basic -6 ChemAxon iupac 3-(2-hydroxyphenyl)propanoic acid ChemAxon average_mass 166.1739 ChemAxon mono_mass 166.062994186 ChemAxon smiles OC(=O)CCC1=CC=CC=C1O ChemAxon formula C9H10O3 ChemAxon inchi InChI=1S/C9H10O3/c10-8-4-2-1-3-7(8)5-6-9(11)12/h1-4,10H,5-6H2,(H,11,12) ChemAxon inchikey CJBDUOMQLFKVQC-UHFFFAOYSA-N ChemAxon polar_surface_area 57.53 ChemAxon refractivity 43.95 ChemAxon polarizability 16.77 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 3 ChemAxon donor_count 2 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 6237 Specdb::MsIr 6238 Specdb::MsIr 6239 Specdb::CMs 1351 Specdb::CMs 5854 Specdb::CMs 31630 Specdb::CMs 32228 Specdb::CMs 43484 Specdb::CMs 175221 Specdb::NmrOneD 122058 Specdb::NmrOneD 122059 Specdb::NmrOneD 122060 Specdb::NmrOneD 122061 Specdb::NmrOneD 122062 Specdb::NmrOneD 122063 Specdb::NmrOneD 122064 Specdb::NmrOneD 122065 Specdb::NmrOneD 122066 Specdb::NmrOneD 122067 Specdb::NmrOneD 122068 Specdb::NmrOneD 122069 Specdb::NmrOneD 122070 Specdb::NmrOneD 122071 Specdb::NmrOneD 122072 Specdb::NmrOneD 122073 Specdb::NmrOneD 122074 Specdb::NmrOneD 122075 Specdb::NmrOneD 122076 Specdb::NmrOneD 122077 Specdb::MsMs 48927 Specdb::MsMs 48928 Specdb::MsMs 48929 Specdb::MsMs 120264 Specdb::MsMs 120265 Specdb::MsMs 120266 Specdb::MsMs 438330 Specdb::MsMs 438331 Specdb::MsMs 438332 Specdb::MsMs 438333 Specdb::MsMs 438334 Specdb::MsMs 440151 Specdb::MsMs 2226861 Specdb::MsMs 2231568 Specdb::MsMs 2232649 Specdb::MsMs 2233890 Specdb::MsMs 2235017 Specdb::MsMs 2844962 Specdb::MsMs 2844963 Specdb::MsMs 2844964 Specdb::MsMs 2860660 Specdb::MsMs 2860661 Specdb::MsMs 2860662 HMDB33752 16104 #<Reference:0x000055ce324330e0> Bilberry Type 1 specific Vaccinium myrtillus 180763 Chinese cinnamon Type 1 specific Cinnamomum aromaticum 119260 Herbs and Spices Unknown generic Pulses Unknown generic Red beetroot Type 1 specific Beta vulgaris var. rubra Anti-ulcerogenic 677 One of various classes of drugs with different action mechanisms used to treat or ameliorate peptic ulcer or irritation of the gastrointestinal tract.