1.0 2016-09-30 22:55:20 UTC 2020-04-22 15:11:00 UTC BMDB0002432 BMDB02432 Sumiki's acid 5-(Hydroxymethyl)-2-furoic acid 5-Hydroxymethyl-2-furancarboxylic acid 5-Hydroxymethyl-furan-2-carboxylic acid 5-Hydroxymethylfuran-2-carboxylic acid 5-Hydroxymethylfuranoic acid 5-Hydroxymethylfuroic acid 5-Hydroxymethyl-2-furoic acid 5-(Hydroxymethyl)-2-furoate 5-Hydroxymethyl-2-furancarboxylate 5-Hydroxymethyl-furan-2-carboxylate 5-Hydroxymethylfuran-2-carboxylate 5-Hydroxymethylfuranoate 5-Hydroxymethylfuroate 5-Hydroxymethyl-2-furoate 5-(Hydroxymethyl)- 2-furancarboxylate HMFA compound Sumiki's acid 2-(Hydroxymethyl)furan-5-carboxylic acid 5-(Hydroxymethyl)-2-furancarboxylic acid 5-Hydroxymethyl-2-furanoate 5-Hydroxymethyl-2-furanoic acid Sumikis' acid Sumikis’ acid Sumiki’s acid C6H6O4 142.1094 142.02660868 5-(hydroxymethyl)furan-2-carboxylic acid 5-hydroxymethyl-2-furoic acid 6338-41-6 OCC1=CC=C(O1)C(O)=O InChI=1S/C6H6O4/c7-3-4-1-2-5(10-4)6(8)9/h1-2,7H,3H2,(H,8,9) PCSKKIUURRTAEM-UHFFFAOYSA-N belongs to the class of organic compounds known as furoic acids. These are organic compounds containing a furoic acid moiety, with a structure characterized by a furan ring bearing a carboxylic acid group at the C2 or C3 carbon atom. Organic compounds Organoheterocyclic compounds Furans Furoic acid and derivatives Furoic acids Aromatic alcohols Carboxylic acids Heteroaromatic compounds Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Oxacyclic compounds Primary alcohols Alcohol Aromatic alcohol Aromatic heteromonocyclic compound Carboxylic acid Carboxylic acid derivative Furoic acid Heteroaromatic compound Hydrocarbon derivative Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Oxacycle Primary alcohol Aromatic heteromonocyclic compounds Solid logp 0.11 ALOGPS logs -0.66 ALOGPS logp -0.16 ChemAxon pka_strongest_acidic -6.6 ChemAxon pka_strongest_basic 6.42 ChemAxon iupac 5-(hydroxymethyl)furan-2-carboxylic acid ChemAxon average_mass 142.1094 ChemAxon mono_mass 142.02660868 ChemAxon smiles OCC1=CC=C(O1)C(O)=O ChemAxon formula C6H6O4 ChemAxon inchi InChI=1S/C6H6O4/c7-3-4-1-2-5(10-4)6(8)9/h1-2,7H,3H2,(H,8,9) ChemAxon inchikey PCSKKIUURRTAEM-UHFFFAOYSA-N ChemAxon polar_surface_area 70.67 ChemAxon refractivity 32.4 ChemAxon polarizability 13.01 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 3 ChemAxon donor_count 2 ChemAxon physiological_charge -1 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 23416 Specdb::CMs 38419 Specdb::CMs 162242 Specdb::MsIr 24 Specdb::MsIr 36 Specdb::MsIr 1771 Specdb::MsIr 1772 Specdb::MsIr 1773 Specdb::NmrOneD 1890 Specdb::NmrOneD 149320 Specdb::NmrOneD 149321 Specdb::NmrOneD 149322 Specdb::NmrOneD 149323 Specdb::NmrOneD 149324 Specdb::NmrOneD 149325 Specdb::NmrOneD 149326 Specdb::NmrOneD 149327 Specdb::NmrOneD 149328 Specdb::NmrOneD 149329 Specdb::NmrOneD 149330 Specdb::NmrOneD 149331 Specdb::NmrOneD 149332 Specdb::NmrOneD 149333 Specdb::NmrOneD 149334 Specdb::NmrOneD 149335 Specdb::NmrOneD 149336 Specdb::NmrOneD 149337 Specdb::NmrOneD 149338 Specdb::NmrOneD 149339 Specdb::MsMs 66939 Specdb::MsMs 66940 Specdb::MsMs 66941 Specdb::MsMs 124629 Specdb::MsMs 124630 Specdb::MsMs 124631 Specdb::MsMs 1472143 Specdb::MsMs 1472144 Specdb::MsMs 1472145 Specdb::MsMs 1472146 Specdb::MsMs 1472147 Specdb::MsMs 1472148 Specdb::MsMs 1472149 Specdb::MsMs 1472150 Specdb::MsMs 1472151 Specdb::MsMs 1472152 Specdb::MsMs 1472153 Specdb::MsMs 1472154 Specdb::MsMs 1472155 Specdb::MsMs 1472156 Specdb::MsMs 1472157 Specdb::MsMs 1472158 Specdb::MsMs 1476480 Specdb::MsMs 1476481 Specdb::MsMs 1476482 FDB023004 72827 C00052414 80642 C20448 89118 CPD-14103 6680 Shmagina, N. N.; Moshkin, P. A. Preparation of 5-hydroxymethyl-2-furoic acid and its butyl ester. Plasticheskie Massy (1964), (2), 51-2.