59163884 1 2 3 4 5 6 7 8 9 10 11 12 22 22 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 3.3335 4.1306 4.9966 4.1996 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 3.4.6.11 Cactvs xemistry.com 2019.06.18 11.5 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 2 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 1 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 0000037180403000000002000000000000000000000000000000000000000000000000000000001A00000800000000A080020000000002000000000000000000000000000000000000000110000000000000000000000100000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 ethylene glycol;titanium IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 ethane-1,2-diol;titanium IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 ethane-1,2-diol;titanium IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 ethane-1,2-diol;titanium IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 ethane-1,2-diol;titanium IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 ethylene glycol;titanium InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C2H6O2.2Ti/c3-1-2-4;;/h3-4H,1-2H2;; InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 PHZUXIWXBYNXDW-UHFFFAOYSA-N Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 157.932661 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C2H6O2Ti2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 157.80 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 C(CO)O.[Ti].[Ti] SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 C(CO)O.[Ti].[Ti] Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 40.5 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 157.932661 6 0 0 0 0 0 0 0 3 -1