1.0 2010-04-08 22:08:08 UTC 2019-11-26 03:02:44 UTC FDB008536 2-Methoxy-3-methylpyrazine Reported in sherry and krill. Flavouring ingredient, especies for coffee. Main component (75%) of *FEMA 3183*, a mixture with its regioisomers. 2-Methoxy-3-methylpyrazine is found in burdock and fenugreek. 2-Methoxy-3-methylpyrazine Methoxymethylpyrazine Pyrazine, 2-methyl-3-methoxy C6H8N2O 124.1405 124.063662888 2-methoxy-3-methylpyrazine pyrazine, 2-methoxy-3-methyl- COC1=C(C)N=CC=N1 InChI=1S/C6H8N2O/c1-5-6(9-2)8-4-3-7-5/h3-4H,1-2H3 VKJIAEQRKBQLLA-UHFFFAOYSA-N belongs to the class of organic compounds known as methoxypyrazines. These are pyrazines containing a methoxyl group attached to the pyrazine ring. Methoxypyrazines Organic compounds Organoheterocyclic compounds Diazines Pyrazines Aromatic heteromonocyclic compounds Alkyl aryl ethers Azacyclic compounds Heteroaromatic compounds Hydrocarbon derivatives Organonitrogen compounds Organopnictogen compounds Alkyl aryl ether Aromatic heteromonocyclic compound Azacycle Ether Heteroaromatic compound Hydrocarbon derivative Methoxypyrazine Organic nitrogen compound Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound logp 1.09 ALOGPS logs 0.24 ALOGPS solubility 2.13e+02 g/l ALOGPS logp 0.11 ChemAxon pka_strongest_basic 1.21 ChemAxon iupac 2-methoxy-3-methylpyrazine ChemAxon average_mass 124.1405 ChemAxon mono_mass 124.063662888 ChemAxon smiles COC1=C(C)N=CC=N1 ChemAxon formula C6H8N2O ChemAxon inchi InChI=1S/C6H8N2O/c1-5-6(9-2)8-4-3-7-5/h3-4H,1-2H3 ChemAxon inchikey VKJIAEQRKBQLLA-UHFFFAOYSA-N ChemAxon polar_surface_area 35.01 ChemAxon refractivity 33.11 ChemAxon polarizability 12.58 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 3 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 11345 Specdb::CMs 133656 Specdb::CMs 141390 Specdb::MsIr 4952 Specdb::MsIr 4953 Specdb::MsMs 102681 Specdb::MsMs 102682 Specdb::MsMs 102683 Specdb::MsMs 168546 Specdb::MsMs 168547 Specdb::MsMs 168548 Specdb::MsMs 3050129 Specdb::MsMs 3050130 Specdb::MsMs 3050131 Specdb::MsMs 3119923 Specdb::MsMs 3119924 Specdb::MsMs 3119925 HMDB31852 #<Reference:0x00007f090c585338> Burdock Type 1 specific Arctium lappa 4217 Fenugreek Type 1 specific Trigonella foenum-graecum 78534