1.0 2010-04-08 22:04:46 UTC 2020-02-24 19:10:17 UTC FDB000952 Methyl 2-furoate It is used in food flavouring. Found in cranberries, guava fruits, raisins and other fruitsand is also present in baked potato, roasted filberts, roasted peanut, tomatoes, coffee, cocoa, okra (Hibiscus esculentus) and other foodstuffs. 2-(Methoxycarbonyl)furan 2-Furancarboxylic acid, methyl ester 2-Furoic acid methyl ester 2-Furoic acid, methyl ester FEMA 2703 Furan-&alpha;-carboxylic acid methyl ester Furan-alpha-carboxylic acid methyl ester Furancarboxylic acid, methyl ester Furoic acid, methyl ester Methyl &alpha;-furoate Methyl 2-furancarboxylate Methyl 2-furoate Methyl 2-furylcarboxylate Methyl alpha-furoate Methyl furan-2-carboxylate Methyl furoate Methyl pyromucate Pyromucic acid methyl ester C6H6O3 126.11 126.031694058 methyl furan-2-carboxylate furoic acid, methyl ester 611-13-2 COC(=O)C1=CC=CO1 InChI=1S/C6H6O3/c1-8-6(7)5-3-2-4-9-5/h2-4H,1H3 HDJLSECJEQSPKW-UHFFFAOYSA-N belongs to the class of organic compounds known as furoic acid esters. These are ester derivatives of furoic acid. Furoic acid esters Organic compounds Organoheterocyclic compounds Furans Furoic acid and derivatives Aromatic heteromonocyclic compounds Heteroaromatic compounds Hydrocarbon derivatives Methyl esters Monocarboxylic acids and derivatives Organic oxides Organooxygen compounds Oxacyclic compounds Aromatic heteromonocyclic compound Carboxylic acid derivative Carboxylic acid ester Furoic acid ester Heteroaromatic compound Hydrocarbon derivative Methyl ester Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Oxacycle Liquid logp 1.21 ALOGPS logs -0.77 ALOGPS solubility 2.13e+01 g/l ALOGPS logp 1.04 ChemAxon pka_strongest_basic -3.1 ChemAxon iupac methyl furan-2-carboxylate ChemAxon average_mass 126.11 ChemAxon mono_mass 126.031694058 ChemAxon smiles COC(=O)C1=CC=CO1 ChemAxon formula C6H6O3 ChemAxon inchi InChI=1S/C6H6O3/c1-8-6(7)5-3-2-4-9-5/h2-4H,1H3 ChemAxon inchikey HDJLSECJEQSPKW-UHFFFAOYSA-N ChemAxon polar_surface_area 39.44 ChemAxon refractivity 30.47 ChemAxon polarizability 11.96 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::EiMs 1767 Specdb::CMs 12049 Specdb::CMs 28894 Specdb::CMs 29399 Specdb::CMs 100448 Specdb::CMs 100449 Specdb::CMs 132717 Specdb::CMs 140451 Specdb::MsIr 3690 Specdb::MsIr 3691 Specdb::NmrOneD 3927 Specdb::NmrOneD 4206 Specdb::NmrOneD 159310 Specdb::NmrOneD 159311 Specdb::NmrOneD 159312 Specdb::NmrOneD 159313 Specdb::NmrOneD 159314 Specdb::NmrOneD 159315 Specdb::NmrOneD 159316 Specdb::NmrOneD 159317 Specdb::NmrOneD 159318 Specdb::NmrOneD 159319 Specdb::NmrOneD 159320 Specdb::NmrOneD 159321 Specdb::NmrOneD 159322 Specdb::NmrOneD 159323 Specdb::NmrOneD 159324 Specdb::NmrOneD 159325 Specdb::NmrOneD 159326 Specdb::NmrOneD 159327 Specdb::NmrOneD 159328 Specdb::NmrOneD 159329 Specdb::MsMs 9533 Specdb::MsMs 9534 Specdb::MsMs 9535 Specdb::MsMs 16205 Specdb::MsMs 16206 Specdb::MsMs 16207 Specdb::MsMs 2819487 Specdb::MsMs 2819488 Specdb::MsMs 2819489 Specdb::MsMs 2889046 Specdb::MsMs 2889047 Specdb::MsMs 2889048 HMDB29750 #<Reference:0x000055ce2ef16920> Arabica coffee Type 1 specific Coffea arabica 13443 Blackberry Type 1 specific Rubus Cocoa and cocoa products Unknown generic Cocoa bean Type 1 specific Theobroma cacao 3641 Coffee and coffee products Unknown generic Evergreen blackberry Type 1 specific Rubus laciniatus Fruits Unknown generic Garden tomato Type 1 specific Solanum lycopersicum 4081 Green vegetables Unknown generic Nuts Unknown generic Potato Type 1 specific Solanum tuberosum 4113 Robusta coffee Type 1 specific Coffea canephora 49390 Tamarind Type 1 specific Tamarindus indica 58860 fruity fungal mushroom sweet tobacco