60039174 1 2 3 4 5 6 7 8 9 10 28 8 8 8 6 6 1 1 1 1 1 1 2 2 3 5 6 6 6 2 4 5 10 5 6 7 8 9 6 2 1 1 2 1 1 1 1 1 5 255 1 2 3 4 5 6 7 8 9 10 4.5981 3.732 2.866 5.4641 2.866 2 2.31 1.4631 1.69 3.732 -0.06 0.44 -1.06 0.44 -0.06 0.44 0.9769 0.75 -0.0969 1.06 0 Compound Canonicalized 5 2012.05.21 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 44.1 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 3 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 0000037180403000000000080000000000000000000000000000000000000000000000000000001A000008000000008080000208000002000800009008000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 acetic acid;oxonickel IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 acetic acid;oxonickel IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 acetic acid;oxonickel IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 acetic acid;oxonickel IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 ethanoic acid;oxidanylidenenickel IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 acetic acid;ketonickel InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C2H4O2.Ni.O/c1-2(3)4;;/h1H3,(H,3,4);; InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 HTPPFZOSEPTMCU-UHFFFAOYSA-N Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 133.951386 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C2H4NiO3 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 134.74 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CC(=O)O.O=[Ni] SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CC(=O)O.O=[Ni] Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 54.4 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 133.951386 6 0 0 0 0 0 0 0 2 -1