1.0 2016-09-30 23:01:03 UTC 2020-04-22 15:11:13 UTC BMDB0002641 BMDB02641 2-Hydroxycinnamic acid (2E)-3-(2-Hydroxyphenyl)-2-propenoic acid (2E)-3-(2-HYDROXYPHENYL)acrylIC ACID (e)-2-Hydroxycinnamic acid (e)-3-(2-Hydroxy-phenyl)-acrylic acid (e)-3-(2-Hydroxyphenyl)-2-propenoic acid (e)-O-Hydroxycinnamic acid 2-Coumarate 2-Coumaric acid 2-Hydroxycinnamate O-Coumaric acid O-Hydroxy-trans-cinnamic acid trans-2-Hydroxycinnamate trans-2-Hydroxycinnamic acid trans-O-Hydroxycinnamic acid (2E)-3-(2-Hydroxyphenyl)-2-propenoate (2E)-3-(2-HYDROXYPHENYL)acrylate (e)-2-Hydroxycinnamate (e)-3-(2-Hydroxy-phenyl)-acrylate (e)-3-(2-Hydroxyphenyl)-2-propenoate (e)-O-Hydroxycinnamate O-Coumarate O-Hydroxy-trans-cinnamate trans-O-Hydroxycinnamate 2-Hydroxycinnamic acid, (e)-isomer Ortho-hydroxycinnamic acid 2-Hydroxycinnamic acid, (Z)-isomer 3-(2-Hydroxyphenyl)prop-2-enoate 3-(2-Hydroxyphenyl)prop-2-enoic acid O-Hydroxycinnamate O-Hydroxycinnamic acid ortho-Hydroxycinnamate trans-O-Coumarate trans-O-Coumaric acid 2-Hydroxycinnamic acid trans-2-Coumarate (E)-3-(2-Hydroxyphenyl)acrylic acid 3-(2-Hydroxyphenyl)-2-propenoic acid o-Hydroxycinnamic acid trans-o-Coumaric acid 3-(2-Hydroxyphenyl)acrylic acid trans-2-Coumaric acid (2E)-3-(2-Hydroxyphenyl)prop-2-enoic acid 2'-Hydroxycinnamic acid C9H8O3 164.158 164.047344122 (2E)-3-(2-hydroxyphenyl)prop-2-enoic acid O-coumaric acid 614-60-8 OC(=O)\C=C\C1=C(O)C=CC=C1 InChI=1S/C9H8O3/c10-8-4-2-1-3-7(8)5-6-9(11)12/h1-6,10H,(H,11,12)/b6-5+ PMOWTIHVNWZYFI-AATRIKPKSA-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. Organic compounds Phenylpropanoids and polyketides Cinnamic acids and derivatives Hydroxycinnamic acids and derivatives Hydroxycinnamic acids 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Carbonyl compounds Carboxylic acids Cinnamic acids Coumaric acids 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 Cinnamic acid Coumaric 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 Aromatic homomonocyclic compounds 2-coumaric acid Monolignols phenols Solid logp 1.90 ALOGPS logs -2.15 ALOGPS logp 1.83 ChemAxon pka_strongest_acidic 4.04 ChemAxon pka_strongest_basic -6 ChemAxon iupac (2E)-3-(2-hydroxyphenyl)prop-2-enoic acid ChemAxon average_mass 164.158 ChemAxon mono_mass 164.047344122 ChemAxon smiles OC(=O)\C=C\C1=C(O)C=CC=C1 ChemAxon formula C9H8O3 ChemAxon inchi InChI=1S/C9H8O3/c10-8-4-2-1-3-7(8)5-6-9(11)12/h1-6,10H,(H,11,12)/b6-5+ ChemAxon inchikey PMOWTIHVNWZYFI-AATRIKPKSA-N ChemAxon polar_surface_area 57.53 ChemAxon refractivity 45.04 ChemAxon polarizability 16.11 ChemAxon rotatable_bond_count 2 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::NmrOneD 3928 Specdb::NmrOneD 4207 Specdb::MsIr 1806 Specdb::MsIr 1807 Specdb::MsIr 1808 Specdb::EiMs 1657 Specdb::CMs 884 Specdb::CMs 885 Specdb::CMs 886 Specdb::CMs 1483 Specdb::CMs 5775 Specdb::CMs 29926 Specdb::CMs 30244 Specdb::CMs 30891 Specdb::CMs 30892 Specdb::CMs 31422 Specdb::CMs 31834 Specdb::CMs 38449 Specdb::CMs 146277 Specdb::MsMs 6475 Specdb::MsMs 6476 Specdb::MsMs 6477 Specdb::MsMs 6478 Specdb::MsMs 6479 Specdb::MsMs 6483 Specdb::MsMs 6484 Specdb::MsMs 240529 Specdb::MsMs 240530 Specdb::MsMs 240531 Specdb::MsMs 242584 Specdb::MsMs 242585 Specdb::MsMs 242586 Specdb::MsMs 437426 Specdb::MsMs 437427 Specdb::MsMs 437428 Specdb::MsMs 437429 Specdb::MsMs 437430 Specdb::MsMs 439095 Specdb::MsMs 439699 Specdb::MsMs 439700 Specdb::MsMs 448051 Specdb::MsMs 2229164 Specdb::MsMs 2349275 Specdb::MsMs 2349276 C01772 553146 FDB011258 C00002729 DB01650 637540 18125 462 2-COUMARATE O-Coumaric_acid 6727 Adams, Roger; Bockstahler, Theodore E. Preparation and reactions of o-hydroxycinnamic acids and esters. Journal of the American Chemical Society (1952), 74 5346-8.