1.0 2010-04-08 22:13:27 UTC 2018-05-29 01:34:31 UTC FDB018021 Ethyl 3,4,5-trimethoxybenzoate Isolated from cashew gum Ethyl 3,4,5-trimethoxybenzoate Ethyltrimethoxy benzoic acid C12H16O5 240.2524 240.099773622 ethyl 3,4,5-trimethoxybenzoate ethyl 3,4,5-trimethoxybenzoate 6178-44-5 CCOC(=O)C1=CC(OC)=C(OC)C(OC)=C1 InChI=1S/C12H16O5/c1-5-17-12(13)8-6-9(14-2)11(16-4)10(7-8)15-3/h6-7H,5H2,1-4H3 UEOFNBCUGJADBM-UHFFFAOYSA-N belongs to the class of organic compounds known as gallic acid and derivatives. Gallic acid and derivatives are compounds containing a 3,4,5-trihydroxybenzoic acid moiety. Gallic acid and derivatives Organic compounds Benzenoids Benzene and substituted derivatives Benzoic acids and derivatives Aromatic homomonocyclic compounds Alkyl aryl ethers Anisoles Benzoic acid esters Benzoyl derivatives Carboxylic acid esters Hydrocarbon derivatives M-methoxybenzoic acids and derivatives Methoxybenzenes Monocarboxylic acids and derivatives Organic oxides P-methoxybenzoic acids and derivatives Phenoxy compounds Alkyl aryl ether Anisole Aromatic homomonocyclic compound Benzoate ester Benzoyl Carboxylic acid derivative Carboxylic acid ester Ether Gallic acid or derivatives Hydrocarbon derivative M-methoxybenzoic acid or derivatives Methoxybenzene Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound P-methoxybenzoic acid or derivatives Phenol ether Phenoxy compound logp 2.29 ALOGPS logs -2.61 ALOGPS solubility 5.90e-01 g/l ALOGPS melting_point Mp 50-51° logp 1.86 ChemAxon pka_strongest_basic -4.5 ChemAxon iupac ethyl 3,4,5-trimethoxybenzoate ChemAxon average_mass 240.2524 ChemAxon mono_mass 240.099773622 ChemAxon smiles CCOC(=O)C1=CC(OC)=C(OC)C(OC)=C1 ChemAxon formula C12H16O5 ChemAxon inchi InChI=1S/C12H16O5/c1-5-17-12(13)8-6-9(14-2)11(16-4)10(7-8)15-3/h6-7H,5H2,1-4H3 ChemAxon inchikey UEOFNBCUGJADBM-UHFFFAOYSA-N ChemAxon polar_surface_area 53.99 ChemAxon refractivity 62.22 ChemAxon polarizability 25.11 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 4 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 51183 Specdb::MsMs 51184 Specdb::MsMs 51185 Specdb::MsMs 159711 Specdb::MsMs 159712 Specdb::MsMs 159713 Specdb::MsMs 2842902 Specdb::MsMs 2842903 Specdb::MsMs 2842904 Specdb::MsMs 2865465 Specdb::MsMs 2865466 Specdb::MsMs 2865467 Specdb::CMs 13537 Specdb::CMs 132085 Specdb::CMs 139819 HMDB38627 #<Reference:0x000055ce31d01dd0>