9756 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 28 8 8 8 8 6 6 6 6 1 1 1 1 1 1 1 2 2 -1 3 -1 2 3 4 5 6 6 6 6 7 7 7 7 8 9 8 9 8 10 11 12 9 13 14 15 1 1 2 2 1 1 1 1 1 1 1 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 4.5981 3.732 5.4641 2.866 6.3301 2 7.1962 2.866 6.3301 2.31 1.4631 1.69 7.5062 7.7331 6.8862 0.25 0.75 0.75 -0.75 -0.75 0.75 0.75 0.25 0.25 1.2869 1.06 0.2131 0.2131 1.06 1.2869 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.408 Cactvs xemistry.com 2012.11.26 25.5 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.408 Cactvs xemistry.com 2012.11.26 4 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 0 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.408 Cactvs xemistry.com 2012.11.26 0000037180603800000000080000000000000000000000000000000000000000000000000000001A000000000000008080000208000000000800009008000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.2.0 LexiChem openeye.com 2012.11.26 nickelous;diacetate IUPAC Name CAS-like Style 1 2.2.0 LexiChem openeye.com 2012.11.26 nickel(2+);diacetate IUPAC Name Preferred 1 2.2.0 LexiChem openeye.com 2012.11.26 nickel(2+);diacetate IUPAC Name Systematic 1 2.2.0 LexiChem openeye.com 2012.11.26 nickel(2+);diethanoate IUPAC Name Traditional 1 2.2.0 LexiChem openeye.com 2012.11.26 nickelous;diacetate InChI Standard 1 1.0.4 InChI iupac.org 2012.11.26 InChI=1S/2C2H4O2.Ni/c2*1-2(3)4;/h2*1H3,(H,3,4);/q;;+2/p-2 InChIKey Standard 1 1.0.4 InChI iupac.org 2012.11.26 AIYYMMQIMJOTBM-UHFFFAOYSA-L Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 175.961952 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 C4H6NiO4 Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 176.78144 SMILES Canonical 1 1.9.0 OEChem openeye.com 2012.11.26 CC(=O)[O-].CC(=O)[O-].[Ni+2] SMILES Isomeric 1 1.9.0 OEChem openeye.com 2012.11.26 CC(=O)[O-].CC(=O)[O-].[Ni+2] Topological Polar Surface Area 7 E_TPSA 3.408 Cactvs xemistry.com 2012.11.26 80.3 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 175.961952 9 0 0 0 0 0 0 0 3 1