84465 1 2 3 4 5 6 7 8 9 40 8 8 8 8 1 1 1 1 1 4 2 -1 3 -1 4 -1 5 -1 2 3 4 5 6 7 8 9 1 1 1 1 1 5 255 1 2 3 4 5 6 7 8 9 3.403 4.269 2.5369 2.903 3.903 4.8059 2 3.213 3.593 0 0.5 -0.5 0.866 -0.866 0.19 -0.19 1.403 -1.403 0 Compound Canonicalized 5 2010.01.29 1 Compound Complexity 7 E_COMPLEXITY 3.408 Cactvs xemistry.com 2012.11.26 0 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 4 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 00000371800038000000000001000000000000000000000000000000000000000000000000000000000008000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.2.0 LexiChem openeye.com 2012.11.26 zirconium(4+);tetrahydroxide IUPAC Name CAS-like Style 1 2.2.0 LexiChem openeye.com 2012.11.26 zirconium(4+);tetrahydroxide IUPAC Name Preferred 1 2.2.0 LexiChem openeye.com 2012.11.26 zirconium(4+);tetrahydroxide IUPAC Name Systematic 1 2.2.0 LexiChem openeye.com 2012.11.26 zirconium(4+);tetrahydroxide IUPAC Name Traditional 1 2.2.0 LexiChem openeye.com 2012.11.26 zirconium(4+);tetrahydroxide InChI Standard 1 1.0.4 InChI iupac.org 2012.11.26 InChI=1S/4H2O.Zr/h4*1H2;/q;;;;+4/p-4 InChIKey Standard 1 1.0.4 InChI iupac.org 2012.11.26 HAIMOVORXAUUQK-UHFFFAOYSA-J Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 157.915663 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 H4O4Zr Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 159.25336 SMILES Canonical 1 1.9.0 OEChem openeye.com 2012.11.26 [OH-].[OH-].[OH-].[OH-].[Zr+4] SMILES Isomeric 1 1.9.0 OEChem openeye.com 2012.11.26 [OH-].[OH-].[OH-].[OH-].[Zr+4] Topological Polar Surface Area 7 E_TPSA 3.408 Cactvs xemistry.com 2012.11.26 4 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 157.915663 5 0 0 0 0 0 0 0 5 1