1.0 2016-09-30 22:55:27 UTC 2020-04-22 15:11:02 UTC BMDB0002455 BMDB02455 Pyruvatoxime 2-(hydroxyimino)Propanoate 2-(hydroxyimino)Propanoic acid 2-Oximinopropanoate 2-Oximinopropanoic acid Pyruvate oxime Pyruvic oxime 2-Oximinopropanoic acid, ion (1-) (2E)-2-(Hydroxyimino)propanoate Pyruvatoxime C3H5NO3 103.0767 103.026943031 (2E)-2-(hydroxyimino)propanoic acid pyruvic oxime 2211-14-5 C\C(=N/O)C(O)=O InChI=1S/C3H5NO3/c1-2(4-7)3(5)6/h7H,1H3,(H,5,6)/b4-2+ MVGBKLTYYAYYGY-DUXPYHPUSA-N belongs to the class of organic compounds known as ketoximes. These are organic compounds with the general formula RC(R')=NOH (R,R' = organyl). Organic compounds Organic nitrogen compounds Organonitrogen compounds Oximes Ketoximes Carbonyl compounds Carboxylic acids Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Organopnictogen compounds Aliphatic acyclic compound Carbonyl group Carboxylic acid Carboxylic acid derivative Hydrocarbon derivative Ketoxime Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Organopnictogen compound Aliphatic acyclic compounds Solid water_solubility 902 mg/mL logp -0.45 ALOGPS logs -0.80 ALOGPS logp 0.075 ChemAxon pka_strongest_acidic 3.42 ChemAxon pka_strongest_basic -2.6 ChemAxon iupac (2E)-2-(hydroxyimino)propanoic acid ChemAxon average_mass 103.0767 ChemAxon mono_mass 103.026943031 ChemAxon smiles C\C(=N/O)C(O)=O ChemAxon formula C3H5NO3 ChemAxon inchi InChI=1S/C3H5NO3/c1-2(4-7)3(5)6/h7H,1H3,(H,5,6)/b4-2+ ChemAxon inchikey MVGBKLTYYAYYGY-DUXPYHPUSA-N ChemAxon polar_surface_area 69.89 ChemAxon refractivity 21.81 ChemAxon polarizability 8.71 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 4 ChemAxon donor_count 2 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 1783 Specdb::MsIr 1784 Specdb::MsIr 1785 Specdb::CMs 24892 Specdb::CMs 38424 Specdb::CMs 168614 Specdb::MsMs 321172 Specdb::MsMs 321173 Specdb::MsMs 321174 Specdb::MsMs 368713 Specdb::MsMs 368714 Specdb::MsMs 368715 Specdb::MsMs 2779840 Specdb::MsMs 2779841 Specdb::MsMs 2779842 Specdb::MsMs 2925145 Specdb::MsMs 2925146 Specdb::MsMs 2925147 Specdb::NmrTwoD 1828 Specdb::NmrOneD 1892 Specdb::NmrOneD 122498 Specdb::NmrOneD 122499 Specdb::NmrOneD 122500 Specdb::NmrOneD 122501 Specdb::NmrOneD 122502 Specdb::NmrOneD 122503 Specdb::NmrOneD 122504 Specdb::NmrOneD 122505 Specdb::NmrOneD 122506 Specdb::NmrOneD 122507 Specdb::NmrOneD 122508 Specdb::NmrOneD 122509 Specdb::NmrOneD 122510 Specdb::NmrOneD 122511 Specdb::NmrOneD 122512 Specdb::NmrOneD 122513 Specdb::NmrOneD 122514 Specdb::NmrOneD 122515 Specdb::NmrOneD 122516 Specdb::NmrOneD 122517 FDB023008 4925178 6419427 KG7 6687 Castignetti D; Forgue C J; Sclafani L A Pathway of oxidation of pyruvic oxime by a heterotrophic nitrifier of the genus Alcaligenes: evidence against nitroethane as an intermediate. Archives of biochemistry and biophysics (1986), 250(1), 228-32.