1.0 2020-03-10 17:01:50 UTC 2020-04-22 18:56:18 UTC BMDB0096139 BMDB96139 Butoxyacetic acid Butoxyacetate 2-Butoxyacetic acid N-Butoxyacetic acid, sodium salt N-Butoxyacetic acid 2-Butoxyacetate C6H12O3 132.1577 132.07864425 2-butoxyacetic acid butoxyacetic acid 2516-93-0 CCCCOCC(O)=O InChI=1S/C6H12O3/c1-2-3-4-9-5-6(7)8/h2-5H2,1H3,(H,7,8) AJQOASGWDCBKCJ-UHFFFAOYSA-N belongs to the class of organic compounds known as carboxylic acids. Carboxylic acids are compounds containing a carboxylic acid group with the formula -C(=O)OH. Organic compounds Organic acids and derivatives Carboxylic acids and derivatives Carboxylic acids Carboxylic acids Carbonyl compounds Dialkyl ethers Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Aliphatic acyclic compound Carbonyl group Carboxylic acid Dialkyl ether Ether Hydrocarbon derivative Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Aliphatic acyclic compounds logp 0.93 ALOGPS logs -0.67 ALOGPS logp 0.93 ChemAxon pka_strongest_acidic 4.3 ChemAxon pka_strongest_basic -4.2 ChemAxon iupac 2-butoxyacetic acid ChemAxon average_mass 132.1577 ChemAxon mono_mass 132.07864425 ChemAxon smiles CCCCOCC(O)=O ChemAxon formula C6H12O3 ChemAxon inchi InChI=1S/C6H12O3/c1-2-3-4-9-5-6(7)8/h2-5H2,1H3,(H,7,8) ChemAxon inchikey AJQOASGWDCBKCJ-UHFFFAOYSA-N ChemAxon polar_surface_area 46.53 ChemAxon refractivity 32.97 ChemAxon polarizability 14.33 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 3 ChemAxon donor_count 1 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon number_of_rings 0 ChemAxon bioavailability 1 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::CMs 20337 Specdb::CMs 47585 Specdb::CMs 165366 Specdb::MsIr 9419 Specdb::MsIr 9420 Specdb::MsIr 9421 Specdb::NmrOneD 50182 Specdb::NmrOneD 50183 Specdb::NmrOneD 50184 Specdb::NmrOneD 50185 Specdb::NmrOneD 50186 Specdb::NmrOneD 50187 Specdb::NmrOneD 50188 Specdb::NmrOneD 50189 Specdb::NmrOneD 50190 Specdb::NmrOneD 50191 Specdb::NmrOneD 50192 Specdb::NmrOneD 50193 Specdb::NmrOneD 50194 Specdb::NmrOneD 50195 Specdb::NmrOneD 50196 Specdb::NmrOneD 50197 Specdb::NmrOneD 50198 Specdb::NmrOneD 50199 Specdb::NmrOneD 50200 Specdb::NmrOneD 50201 Specdb::MsMs 61245 Specdb::MsMs 61246 Specdb::MsMs 61247 Specdb::MsMs 117735 Specdb::MsMs 117736 Specdb::MsMs 117737 Specdb::MsMs 2677485 Specdb::MsMs 2677486 Specdb::MsMs 2677487 Specdb::MsMs 3030782 Specdb::MsMs 3030783 Specdb::MsMs 3030784 38273 FDB111674 41958