1.0 2018-07-17 17:24:55 UTC 2020-04-22 15:51:50 UTC BMDB0062274 BMDB62274 Ethoxyacetic acid Ethoxyacetic acid, also known as ethoxyacetate or O-ethylglycolic acid, 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. Ethoxyacetic acid is possibly soluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Ethoxyacetate Ethoxy-acetic acid anion Ethoxy-acetate anion 2-Ethoxy-acetic acid 2-Ethoxyacetic acid Ethoxy acetic acid Ethoxy-acetic acid ETHOXYACETIC ACID (egmee (110-80-5)) Glycolic acid ethyl ether O-Ethylglycolic acid 2-Ethoxyacetate Ethoxyacetic acid C4H8O3 104.1045 104.047344122 2-ethoxyacetic acid acetic acid, ethoxy- 627-03-2 CCOCC(O)=O InChI=1S/C4H8O3/c1-2-7-3-4(5)6/h2-3H2,1H3,(H,5,6) YZGQDNOIGFBYKF-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 0.15 ALOGPS logs 0.53 ALOGPS logp -0.041 ChemAxon pka_strongest_acidic 4.04 ChemAxon pka_strongest_basic -4.2 ChemAxon iupac 2-ethoxyacetic acid ChemAxon average_mass 104.1045 ChemAxon mono_mass 104.047344122 ChemAxon smiles CCOCC(O)=O ChemAxon formula C4H8O3 ChemAxon inchi InChI=1S/C4H8O3/c1-2-7-3-4(5)6/h2-3H2,1H3,(H,5,6) ChemAxon inchikey YZGQDNOIGFBYKF-UHFFFAOYSA-N ChemAxon polar_surface_area 46.53 ChemAxon refractivity 23.85 ChemAxon polarizability 10.25 ChemAxon rotatable_bond_count 3 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::MsIr 4189 Specdb::MsIr 4190 Specdb::MsIr 4191 Specdb::MsMs 8177 Specdb::MsMs 8178 Specdb::MsMs 8179 Specdb::MsMs 14849 Specdb::MsMs 14850 Specdb::MsMs 14851 Specdb::MsMs 2299095 Specdb::MsMs 2299096 Specdb::MsMs 2299097 Specdb::MsMs 2639401 Specdb::MsMs 2639402 Specdb::MsMs 2639403 Specdb::CMs 14333 Specdb::CMs 42389 Specdb::CMs 170011 Specdb::NmrOneD 111018 Specdb::NmrOneD 111019 Specdb::NmrOneD 111020 Specdb::NmrOneD 111021 Specdb::NmrOneD 111022 Specdb::NmrOneD 111023 Specdb::NmrOneD 111024 Specdb::NmrOneD 111025 Specdb::NmrOneD 111026 Specdb::NmrOneD 111027 Specdb::NmrOneD 111028 Specdb::NmrOneD 111029 Specdb::NmrOneD 111030 Specdb::NmrOneD 111031 Specdb::NmrOneD 111032 Specdb::NmrOneD 111033 Specdb::NmrOneD 111034 Specdb::NmrOneD 111035 Specdb::NmrOneD 111036 Specdb::NmrOneD 111037 Milk By GC-TOFMS and UPLC-QTOFMS Qian L, Zhao A, Zhang Y, Chen T, Zeisel SH, Jia W, Cai W: Metabolomic Approaches to Explore Chemical Diversity of Human Breast-Milk, Formula Milk and Bovine Milk. Int J Mol Sci. 2016 Dec 17;17(12). pii: ijms17122128. doi: 10.3390/ijms17122128. 27999311 FDB003235 11798 741468 12301 Qian L, Zhao A, Zhang Y, Chen T, Zeisel SH, Jia W, Cai W: Metabolomic Approaches to Explore Chemical Diversity of Human Breast-Milk, Formula Milk and Bovine Milk. Int J Mol Sci. 2016 Dec 17;17(12). pii: ijms17122128. doi: 10.3390/ijms17122128. 27999311