1.0 2010-04-08 22:10:17 UTC 2019-11-26 03:07:20 UTC FDB012665 3-(3,4-Dimethoxyphenyl)-2-propenoic acid Found in kava (Piper methysticum). FDA advises against use of kava in food due to potential risk of severe liver damage (2002) (2E)-3-(3,4-Dimethoxyphenyl)-2-propenoic acid (2E)-3-(3,4-dimethoxyphenyl)acrylic acid (2E)-3-(3,4-dimethoxyphenyl)prop-2-enoic acid (E)-3,4-Dimethoxycinnamic acid (E)-3',4'-Dimethoxycinnamic acid 2-Propenoic acid, 3-(3,4-dimethoxyphenyl)- 2-Propenoic acid, 3-(3,4-dimethoxyphenyl)-, (E)- 3-(3,4-Dimethoxyphenyl)-(e)-2-propenoic acid 3-(3,4-Dimethoxyphenyl)-2-propenoic acid, 9CI 3-(3,4-dimethoxyphenyl)propenoic acid 3, 4-Dimethoxycinnamic acid 3,4-Dimethoxy-cinnamic acid 3,4-Dimethoxy-trans-cinnamic acid 3,4-Dimethoxycinnamic acid 3,4-Dimethoxycinnamic acid, 8CI 3,4-Dimethoxycinnamic acid, predominantly trans 3,4-Dimethoxyphenyl-2-propenoic acid Caffeic acid dimethyl ether Cinnamic acid, 3,4-dimethoxy- Dimethyl caffeic acid Dimethylcaffeic acid E)-3,4-Dimethoxycinnamic acid O'-dimethylcaffeate C11H12O4 208.2106 208.073558872 (2E)-3-(3,4-dimethoxyphenyl)prop-2-enoic acid cinnamic acid,3,4-dimethoxy 14737-89-4 COC1=C(OC)C=C(\C=C\C(O)=O)C=C1 InChI=1S/C11H12O4/c1-14-9-5-3-8(4-6-11(12)13)7-10(9)15-2/h3-7H,1-2H3,(H,12,13)/b6-4+ HJBWJAPEBGSQPR-GQCTYLIASA-N belongs to the class of organic compounds known as coumaric acids and derivatives. These are aromatic compounds containing Aromatic compounds containing a cinnamic acid moiety (or a derivative thereof) hydroxylated at the C2 (ortho-), C3 (meta-), or C4 (para-) carbon atom of the benzene ring. Coumaric acids and derivatives Organic compounds Phenylpropanoids and polyketides Cinnamic acids and derivatives Hydroxycinnamic acids and derivatives Aromatic homomonocyclic compounds Alkyl aryl ethers Anisoles Carbonyl compounds Carboxylic acids Cinnamic acids Dimethoxybenzenes Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Phenoxy compounds Styrenes Alkyl aryl ether Anisole Aromatic homomonocyclic compound Benzenoid Carbonyl group Carboxylic acid Carboxylic acid derivative Cinnamic acid Coumaric acid or derivatives Dimethoxybenzene Ether Hydrocarbon derivative Methoxybenzene Monocarboxylic acid or derivatives Monocyclic benzene moiety O-dimethoxybenzene Organic oxide Organic oxygen compound Organooxygen compound Phenol ether Phenoxy compound Styrene methoxycinnamic acid logp 2.50 ALOGPS logs -2.72 ALOGPS solubility 4.00e-01 g/l ALOGPS melting_point Mp 180-181.5° logp 1.82 ChemAxon pka_strongest_acidic 3.87 ChemAxon pka_strongest_basic -4.6 ChemAxon iupac (2E)-3-(3,4-dimethoxyphenyl)prop-2-enoic acid ChemAxon average_mass 208.2106 ChemAxon mono_mass 208.073558872 ChemAxon smiles COC1=C(OC)C=C(\C=C\C(O)=O)C=C1 ChemAxon formula C11H12O4 ChemAxon inchi InChI=1S/C11H12O4/c1-14-9-5-3-8(4-6-11(12)13)7-10(9)15-2/h3-7H,1-2H3,(H,12,13)/b6-4+ ChemAxon inchikey HJBWJAPEBGSQPR-GQCTYLIASA-N ChemAxon polar_surface_area 55.76 ChemAxon refractivity 55.99 ChemAxon polarizability 21.38 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 4 ChemAxon donor_count 1 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 6553 Specdb::MsIr 6554 Specdb::MsIr 6555 Specdb::CMs 1751 Specdb::CMs 14091 Specdb::CMs 29826 Specdb::CMs 31645 Specdb::CMs 43810 Specdb::CMs 169567 Specdb::MsMs 51069 Specdb::MsMs 51070 Specdb::MsMs 51071 Specdb::MsMs 173823 Specdb::MsMs 173824 Specdb::MsMs 173825 Specdb::MsMs 374600 Specdb::MsMs 438996 Specdb::MsMs 447890 Specdb::MsMs 447891 Specdb::MsMs 447892 Specdb::MsMs 447893 Specdb::MsMs 448147 Specdb::MsMs 451221 Specdb::MsMs 452186 Specdb::MsMs 2228427 Specdb::MsMs 2230882 Specdb::MsMs 2235756 Specdb::MsMs 2237634 Specdb::MsMs 2243983 Specdb::MsMs 2246092 Specdb::MsMs 2246177 Specdb::MsMs 2248126 Specdb::MsMs 2248270 Specdb::MsMs 2250091 HMDB34315 #<Reference:0x000055ce333867e0> Beverages Unknown generic Wasabi Type 1 specific Wasabia japonica 75806