1.0 2010-04-08 22:08:14 UTC 2015-07-20 22:25:56 UTC FDB008764 (E)-3-(2,3-Dihydroxyphenyl)-2-propenoic acid Identified in Anthemis nobilis (Roman chamomile) (2e)-3-(2,3-Dihydroxyphenyl)acrylate (2e)-3-(2,3-Dihydroxyphenyl)acrylic acid ADPribose 2'-phosphate APX trans-2,3-Dihydroxycinnamate trans-2,3-Dihydroxycinnamic acid C9H8O4 180.1574 180.042258744 3-(2,3-dihydroxyphenyl)prop-2-enoic acid 2,3-dihydroxycinnamic acid 38481-04-8 OC(=O)C=CC1=C(O)C(O)=CC=C1 InChI=1S/C9H8O4/c10-7-3-1-2-6(9(7)13)4-5-8(11)12/h1-5,10,13H,(H,11,12) SIUKXCMDYPYCLH-UHFFFAOYSA-N belongs to the class of organic compounds known as hydroxycinnamic acids. Hydroxycinnamic acids are compounds containing an cinnamic acid where the benzene ring is hydroxylated. Hydroxycinnamic acids Organic compounds Phenylpropanoids and polyketides Cinnamic acids and derivatives Hydroxycinnamic acids and derivatives Aromatic homomonocyclic compounds 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Carbonyl compounds Carboxylic acids Catechols Cinnamic acids Coumaric acids and derivatives Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Styrenes 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid Aromatic homomonocyclic compound Benzenoid Carbonyl group Carboxylic acid Carboxylic acid derivative Catechol Cinnamic acid Coumaric acid or derivatives Hydrocarbon derivative Hydroxycinnamic acid Monocarboxylic acid or derivatives Monocyclic benzene moiety Organic oxide Organic oxygen compound Organooxygen compound Phenol Styrene hydroxycinnamic acid logp 1.66 ALOGPS logs -2.04 ALOGPS solubility 1.66e+00 g/l ALOGPS melting_point Mp 218° dec. logp 1.53 ChemAxon pka_strongest_acidic 3.87 ChemAxon pka_strongest_basic -6.3 ChemAxon iupac 3-(2,3-dihydroxyphenyl)prop-2-enoic acid ChemAxon average_mass 180.1574 ChemAxon mono_mass 180.042258744 ChemAxon smiles OC(=O)C=CC1=C(O)C(O)=CC=C1 ChemAxon formula C9H8O4 ChemAxon inchi InChI=1S/C9H8O4/c10-7-3-1-2-6(9(7)13)4-5-8(11)12/h1-5,10,13H,(H,11,12) ChemAxon inchikey SIUKXCMDYPYCLH-UHFFFAOYSA-N ChemAxon polar_surface_area 77.76 ChemAxon refractivity 47.02 ChemAxon polarizability 17.21 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 4 ChemAxon donor_count 3 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 28232 Specdb::MsMs 28233 Specdb::MsMs 28234 Specdb::MsMs 34790 Specdb::MsMs 34791 Specdb::MsMs 34792 Specdb::MsMs 2357718 Specdb::MsMs 2357719 Specdb::MsMs 2357720 Specdb::MsMs 2603963 Specdb::MsMs 2603964 Specdb::MsMs 2603965 Specdb::CMs 9502 Specdb::CMs 42726 Specdb::CMs 152380 Specdb::NmrOneD 310251 Specdb::NmrOneD 310252 Specdb::NmrOneD 310253 Specdb::NmrOneD 310254 Specdb::NmrOneD 310255 Specdb::NmrOneD 310256 Specdb::NmrOneD 310257 Specdb::NmrOneD 310258 Specdb::NmrOneD 310259 Specdb::NmrOneD 310260 Specdb::NmrOneD 310261 Specdb::NmrOneD 310262 Specdb::NmrOneD 310263 Specdb::NmrOneD 310264 Specdb::NmrOneD 310265 Specdb::NmrOneD 310266 Specdb::NmrOneD 310267 Specdb::NmrOneD 310268 Specdb::NmrOneD 310269 Specdb::NmrOneD 310270 HMDB32057 #<Reference:0x000055ce32871fa8>