1.0 2016-05-19 04:05:18 UTC 2026-08-22 18:36:37 UTC Butanamide, 3-oxo- SmallMolecule Butanamide, 3-oxo- is an organic compound with the formula C4H7NO2 and an average molecular weight of 101.11 g/mol. Butanamide, 3-oxo- belongs to the fatty amides, a subclass of fatty acyls within the organic compounds. This substance has been identified in or released from three recorded sources, including drinking water and water supply (drinking water), as well as electrical and electronic equipment such as gas filled discharge tubes with solid cathode and antennas. The recorded route of exposure for this compound is oral. 3-Oxobutanamide acetoacetamide C4H7NO2 101.105 101.047678469 3-oxobutanimidic acid 3-oxobutanimidic acid 5977-14-0 CC(=O)CC(O)=N InChI=1S/C4H7NO2/c1-3(6)2-4(5)7/h2H2,1H3,(H2,5,7) GCPWJFKTWGFEHH-UHFFFAOYSA-N Organic compounds Lipids and lipid-like molecules Fatty Acyls Fatty amides Fatty amides 1,3-dicarbonyl compounds Hydrocarbon derivatives Ketones Organic oxides Organonitrogen compounds Organopnictogen compounds Primary carboxylic acid amides 1,3-dicarbonyl compound Aliphatic acyclic compound Carbonyl group Carboxamide group Carboxylic acid derivative Fatty amide Hydrocarbon derivative Ketone Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Primary carboxylic acid amide Aliphatic acyclic compounds monocarboxylic acid amide Detected and Not Quantified logp -1 logp -0.64 ALOGPS logs -1.32 ALOGPS solubility 4.89e+00 g/l ALOGPS logp -2.6 ChemAxon pka_strongest_acidic -1.5 ChemAxon pka_strongest_basic 13.01 ChemAxon iupac 3-oxobutanimidic acid ChemAxon average_mass 101.105 ChemAxon mono_mass 101.047678469 ChemAxon smiles CC(=O)CC(O)=N ChemAxon formula C4H7NO2 ChemAxon inchi InChI=1S/C4H7NO2/c1-3(6)2-4(5)7/h2H2,1H3,(H2,5,7) ChemAxon inchikey GCPWJFKTWGFEHH-UHFFFAOYSA-N ChemAxon polar_surface_area 61.15 ChemAxon refractivity 35.3 ChemAxon polarizability 9.57 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 3 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f7221ff5b50> 80077 72327