1.0 2010-04-08 22:13:24 UTC 2019-11-26 03:15:28 UTC FDB017938 Methyl 3,4,5-trimethoxycinnamate Isolated from Piper longum (long pepper) and other plant subspecies Methyl 3,4,5-trimethoxycinnamate is found in herbs and spices. Methyl 3,4,5-trimethoxycinnamate C13H16O5 252.2631 252.099773622 methyl (2E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoate methyl (2E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoate 20329-96-8 COC(=O)\C=C\C1=CC(OC)=C(OC)C(OC)=C1 InChI=1S/C13H16O5/c1-15-10-7-9(5-6-12(14)17-3)8-11(16-2)13(10)18-4/h5-8H,1-4H3/b6-5+ KLXHCGFNNUQTEY-AATRIKPKSA-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 Cinnamic acid esters Enoate esters Fatty acid esters Hydrocarbon derivatives Methoxybenzenes Methyl esters Monocarboxylic acids and derivatives Organic oxides Phenoxy compounds Styrenes Alkyl aryl ether Alpha,beta-unsaturated carboxylic ester Anisole Aromatic homomonocyclic compound Benzenoid Carbonyl group Carboxylic acid derivative Carboxylic acid ester Cinnamic acid ester Coumaric acid or derivatives Enoate ester Ether Fatty acid ester Fatty acyl Hydrocarbon derivative Methoxybenzene Methyl ester Monocarboxylic acid or derivatives Monocyclic benzene moiety Organic oxide Organic oxygen compound Organooxygen compound Phenol ether Phenoxy compound Styrene alkyl cinnamate methoxybenzene logp 2.53 ALOGPS logs -3.51 ALOGPS solubility 7.86e-02 g/l ALOGPS melting_point Mp 99-100° logp 2.04 ChemAxon pka_strongest_basic -4.4 ChemAxon iupac methyl (2E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoate ChemAxon average_mass 252.2631 ChemAxon mono_mass 252.099773622 ChemAxon smiles COC(=O)\C=C\C1=CC(OC)=C(OC)C(OC)=C1 ChemAxon formula C13H16O5 ChemAxon inchi InChI=1S/C13H16O5/c1-15-10-7-9(5-6-12(14)17-3)8-11(16-2)13(10)18-4/h5-8H,1-4H3/b6-5+ ChemAxon inchikey KLXHCGFNNUQTEY-AATRIKPKSA-N ChemAxon polar_surface_area 53.99 ChemAxon refractivity 67.22 ChemAxon polarizability 26.6 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 4 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 9851 Specdb::CMs 146637 Specdb::MsMs 99528 Specdb::MsMs 99529 Specdb::MsMs 99530 Specdb::MsMs 164670 Specdb::MsMs 164671 Specdb::MsMs 164672 Specdb::MsMs 452061 Specdb::MsMs 452062 Specdb::MsMs 2226607 Specdb::MsMs 2228138 Specdb::MsMs 2230501 Specdb::MsMs 2373207 Specdb::MsMs 2373208 Specdb::MsMs 2373209 Specdb::MsMs 2566046 Specdb::MsMs 2566047 Specdb::MsMs 2566048 HMDB38551 #<Reference:0x000055ce31df5b38> Herbs and Spices Unknown generic