1.0 2010-04-08 22:10:14 UTC 2019-11-26 03:07:05 UTC FDB012560 2-(Methoxymethyl)furan Aroma constituent of roasted coffee and roasted almonds. Flavouring agent. 2-(Methoxymethyl)furan is found in coffee and coffee products and nuts. 2-(Methoxymethyl)-furan 2-(Methoxymethyl)furan, 9CI 2-Furfuryl methyl ether FEMA 3159 Furan, 2-(methoxymethyl)- Furfuryl methyl ether Methyl furfuryl ether C6H8O2 112.1265 112.0524295 2-(methoxymethyl)furan furan, 2-(methoxymethyl)- 13679-46-4 COCC1=CC=CO1 InChI=1S/C6H8O2/c1-7-5-6-3-2-4-8-6/h2-4H,5H2,1H3 GANSPRKOWQQXPE-UHFFFAOYSA-N belongs to the class of organic compounds known as heteroaromatic compounds. Heteroaromatic compounds are compounds containing an aromatic ring where a carbon atom is linked to an hetero atom. Heteroaromatic compounds Organic compounds Organoheterocyclic compounds Heteroaromatic compounds Aromatic heteromonocyclic compounds Dialkyl ethers Furans Hydrocarbon derivatives Oxacyclic compounds Aromatic heteromonocyclic compound Dialkyl ether Ether Furan Heteroaromatic compound Hydrocarbon derivative Organic oxygen compound Organooxygen compound Oxacycle logp 0.94 ALOGPS logs -0.87 ALOGPS solubility 1.51e+01 g/l ALOGPS logp 0.91 ChemAxon pka_strongest_basic -3.4 ChemAxon iupac 2-(methoxymethyl)furan ChemAxon average_mass 112.1265 ChemAxon mono_mass 112.0524295 ChemAxon smiles COCC1=CC=CO1 ChemAxon formula C6H8O2 ChemAxon inchi InChI=1S/C6H8O2/c1-7-5-6-3-2-4-8-6/h2-4H,5H2,1H3 ChemAxon inchikey GANSPRKOWQQXPE-UHFFFAOYSA-N ChemAxon polar_surface_area 22.37 ChemAxon refractivity 30.02 ChemAxon polarizability 11.9 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 2462 Specdb::CMs 154392 Specdb::MsIr 6520 Specdb::MsMs 66180 Specdb::MsMs 66181 Specdb::MsMs 66182 Specdb::MsMs 123684 Specdb::MsMs 123685 Specdb::MsMs 123686 Specdb::MsMs 2710403 Specdb::MsMs 2710404 Specdb::MsMs 2710405 Specdb::MsMs 2994965 Specdb::MsMs 2994966 Specdb::MsMs 2994967 Specdb::NmrOneD 125278 Specdb::NmrOneD 125279 Specdb::NmrOneD 125280 Specdb::NmrOneD 125281 Specdb::NmrOneD 125282 Specdb::NmrOneD 125283 Specdb::NmrOneD 125284 Specdb::NmrOneD 125285 Specdb::NmrOneD 125286 Specdb::NmrOneD 125287 Specdb::NmrOneD 125288 Specdb::NmrOneD 125289 Specdb::NmrOneD 125290 Specdb::NmrOneD 125291 Specdb::NmrOneD 125292 Specdb::NmrOneD 125293 Specdb::NmrOneD 125294 Specdb::NmrOneD 125295 Specdb::NmrOneD 125296 Specdb::NmrOneD 125297 HMDB34247 #<Reference:0x000055ce31679ff8> Arabica coffee Type 1 specific Coffea arabica 13443 Coffee and coffee products Unknown generic Nuts Unknown generic Robusta coffee Type 1 specific Coffea canephora 49390 coffee roasted