66545848 1 2 3 4 5 6 28 8 8 6 1 1 1 2 2 3 4 2 4 5 4 6 6 1 1 2 1 1 5 255 1 2 3 4 5 6 2 2.866 4.5981 3.732 2.866 3.732 0.25 -0.25 -0.25 0.25 -0.87 0.87 0 Compound Canonicalized 5 2012.05.21 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 13.5 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 2 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 0 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371000030000000000800000000000000000000000000000000000000000000000000000012000008000000000000030008000002000800000088000000000000000000000000000010000000000000000000000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 formic acid;nickel IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 formic acid;nickel IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 formic acid;nickel IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 formic acid;nickel IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 methanoic acid;nickel IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 formic acid;nickel InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/CH2O2.Ni/c2-1-3;/h1H,(H,2,3); InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 RILTWTZTURZUEO-UHFFFAOYSA-N Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 103.940821 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 CH2NiO2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 104.719 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 C(=O)O.[Ni] SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 C(=O)O.[Ni] Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 37.3 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 103.940821 4 0 0 0 0 0 0 0 2 -1