58085201 1 2 3 4 5 6 7 8 9 10 11 12 39 39 8 8 6 6 1 1 1 1 1 1 1 2 3 3 4 4 5 5 5 6 6 3 4 5 11 6 12 6 7 8 9 10 6 6 1 1 1 1 1 1 1 1 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 2 6.3301 2.866 5.4641 3.732 4.5981 4.1306 3.3335 4.1996 4.9966 2.866 5.4641 0.25 -0.25 -0.25 0.25 0.25 -0.25 0.7249 0.7249 -0.7249 -0.7249 -0.87 0.87 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 2 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 0000037180403000000000000200000000000000000000000000000000000000000000000000001A00000800000000A080020000000002000000000000000000000000000000000000000110000000000000000000000100000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.2.0 LexiChem openeye.com 2012.11.26 ethylene glycol;yttrium IUPAC Name CAS-like Style 1 2.2.0 LexiChem openeye.com 2012.11.26 ethane-1,2-diol;yttrium IUPAC Name Preferred 1 2.2.0 LexiChem openeye.com 2012.11.26 ethane-1,2-diol;yttrium IUPAC Name Systematic 1 2.2.0 LexiChem openeye.com 2012.11.26 ethane-1,2-diol;yttrium IUPAC Name Traditional 1 2.2.0 LexiChem openeye.com 2012.11.26 ethylene glycol;yttrium InChI Standard 1 1.0.4 InChI iupac.org 2012.11.26 InChI=1S/C2H6O2.2Y/c3-1-2-4;;/h3-4H,1-2H2;; InChIKey Standard 1 1.0.4 InChI iupac.org 2012.11.26 PZWUJEDBQIWSOY-UHFFFAOYSA-N Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 239.848476 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 C2H6O2Y2 Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 239.87954 SMILES Canonical 1 1.9.0 OEChem openeye.com 2012.11.26 C(CO)O.[Y].[Y] SMILES Isomeric 1 1.9.0 OEChem openeye.com 2012.11.26 C(CO)O.[Y].[Y] Topological Polar Surface Area 7 E_TPSA 3.408 Cactvs xemistry.com 2012.11.26 40.5 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 239.848476 6 0 0 0 0 0 0 0 3 1