59953318 1 2 3 4 5 6 7 8 9 10 19 19 8 8 6 6 1 1 1 1 1 1 2 1 3 -1 4 -1 1 2 3 4 5 5 5 6 6 3 4 5 6 6 7 8 9 10 7 7 1 1 1 1 1 1 1 1 5 255 1 2 3 4 5 6 7 8 9 10 2 6.3301 2.866 5.4641 3.732 4.5981 3.3335 4.1306 4.9966 4.1996 -0.25 0.25 0.25 -0.25 -0.25 0.25 -0.7249 -0.7249 0.7249 0.7249 0 Compound Canonicalized 5 2012.05.21 1 Compound Complexity 7 E_COMPLEXITY 3.408 Cactvs xemistry.com 2012.11.26 11.5 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.408 Cactvs xemistry.com 2012.11.26 2 Count Hydrogen Bond Donor 5 E_NHDONORS 3.408 Cactvs xemistry.com 2012.11.26 0 Count Rotatable Bond 5 E_NROTBONDS 3.408 Cactvs xemistry.com 2012.11.26 1 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.408 Cactvs xemistry.com 2012.11.26 0000037180403000006000000000000000000000000000000000000000000000000000000000001A00000000000000A080020000000000000000000000000000000000000000000000000100000000000000000000000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.2.0 LexiChem openeye.com 2012.11.26 dipotassium;ethane-1,2-diolate IUPAC Name CAS-like Style 1 2.2.0 LexiChem openeye.com 2012.11.26 dipotassium;ethane-1,2-diolate IUPAC Name Preferred 1 2.2.0 LexiChem openeye.com 2012.11.26 dipotassium;ethane-1,2-diolate IUPAC Name Systematic 1 2.2.0 LexiChem openeye.com 2012.11.26 dipotassium;ethane-1,2-diolate IUPAC Name Traditional 1 2.2.0 LexiChem openeye.com 2012.11.26 dipotassium;ethane-1,2-diolate InChI Standard 1 1.0.4 InChI iupac.org 2012.11.26 InChI=1S/C2H4O2.2K/c3-1-2-4;;/h1-2H2;;/q-2;2*+1 InChIKey Standard 1 1.0.4 InChI iupac.org 2012.11.26 ZIBYIESPGPCZMZ-UHFFFAOYSA-N Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 137.948543 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 C2H4K2O2 Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 138.24856 SMILES Canonical 1 1.9.0 OEChem openeye.com 2012.11.26 C(C[O-])[O-].[K+].[K+] SMILES Isomeric 1 1.9.0 OEChem openeye.com 2012.11.26 C(C[O-])[O-].[K+].[K+] Topological Polar Surface Area 7 E_TPSA 3.408 Cactvs xemistry.com 2012.11.26 46.1 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 137.948543 6 0 0 0 0 0 0 0 3 1