1.0 2018-07-17 17:46:56 UTC 2020-03-13 17:36:35 UTC BMDB0062532 BMDB62532 Ethyl furoate Ethyl furoate, also known as ethyl furoic acid, belongs to the class of organic compounds known as furoic acid esters. These are ester derivatives of furoic acid. Ethyl furoate is possibly soluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Ethyl furoic acid Ethyl furan-2-carboxylic acid Ethyl 2-furoic acid C7H8O3 140.1366 140.047344122 ethyl furan-2-carboxylate ethyl 2-furoate CCOC(=O)C1=CC=CO1 InChI=1S/C7H8O3/c1-2-9-7(8)6-4-3-5-10-6/h3-5H,2H2,1H3 NHXSTXWKZVAVOQ-UHFFFAOYSA-N belongs to the class of organic compounds known as furoic acid esters. These are ester derivatives of furoic acid. Organic compounds Organoheterocyclic compounds Furans Furoic acid and derivatives Furoic acid esters Carboxylic acid esters Heteroaromatic compounds Hydrocarbon derivatives 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 Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Oxacycle Aromatic heteromonocyclic compounds logp 1.77 ALOGPS logs -1.03 ALOGPS logp 1.39 ChemAxon pka_strongest_basic -3.1 ChemAxon iupac ethyl furan-2-carboxylate ChemAxon average_mass 140.1366 ChemAxon mono_mass 140.047344122 ChemAxon smiles CCOC(=O)C1=CC=CO1 ChemAxon formula C7H8O3 ChemAxon inchi InChI=1S/C7H8O3/c1-2-9-7(8)6-4-3-5-10-6/h3-5H,2H2,1H3 ChemAxon inchikey NHXSTXWKZVAVOQ-UHFFFAOYSA-N ChemAxon polar_surface_area 39.44 ChemAxon refractivity 35.22 ChemAxon polarizability 13.77 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon number_of_rings 1 ChemAxon bioavailability 1 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::CMs 36542 Specdb::CMs 171544 Specdb::MsIr 9745 Specdb::MsIr 9746 Specdb::MsMs 913951 Specdb::MsMs 913952 Specdb::MsMs 913953 Specdb::MsMs 962095 Specdb::MsMs 962096 Specdb::MsMs 962097 Specdb::MsMs 3223666 Specdb::MsMs 3223667 Specdb::MsMs 3223668 Specdb::MsMs 3224530 Specdb::MsMs 3224531 Specdb::MsMs 3224532 Specdb::NmrOneD 53302 Specdb::NmrOneD 53303 Specdb::NmrOneD 53304 Specdb::NmrOneD 53305 Specdb::NmrOneD 53306 Specdb::NmrOneD 53307 Specdb::NmrOneD 53308 Specdb::NmrOneD 53309 Specdb::NmrOneD 53310 Specdb::NmrOneD 53311 Specdb::NmrOneD 53312 Specdb::NmrOneD 53313 Specdb::NmrOneD 53314 Specdb::NmrOneD 53315 Specdb::NmrOneD 53316 Specdb::NmrOneD 53317 Specdb::NmrOneD 53318 Specdb::NmrOneD 53319 Specdb::NmrOneD 53320 Specdb::NmrOneD 53321 Milk By UPLC-Q-TOF Pan L, Yu J, Mi Z, Mo L, Jin H, Yao C, Ren D, Menghe B: A Metabolomics Approach Uncovers Differences between Traditional and Commercial Dairy Products in Buryatia (Russian Federation). Molecules. 2018 Mar 22;23(4). pii: molecules23040735. doi: 10.3390/molecules23040735. 29565828 11980 FDB029783 Pan L, Yu J, Mi Z, Mo L, Jin H, Yao C, Ren D, Menghe B: A Metabolomics Approach Uncovers Differences between Traditional and Commercial Dairy Products in Buryatia (Russian Federation). Molecules. 2018 Mar 22;23(4). pii: molecules23040735. doi: 10.3390/molecules23040735. 29565828