60210738 1 2 3 4 5 6 7 8 9 10 11 39 8 8 6 6 1 1 1 1 1 1 1 2 2 3 3 4 4 4 5 5 2 4 10 5 11 5 6 7 8 9 6 1 1 1 1 1 1 1 1 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 6.001 5.135 2.5369 4.269 3.403 3.8705 4.6675 3.8015 3.0044 5.135 2 -0.56 -0.06 -0.56 -0.56 -0.06 -1.035 -1.035 0.4149 0.4149 0.56 -0.25 0 Compound Canonicalized 5 2012.05.21 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 11.6 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 0000037180403000000000000200000000000000000000000000000000000000000000000000001A00000800000000A080020000000002000000000000000000000000000000000000000110000000000000000000000100000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 ethylene glycol;yttrium IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 ethane-1,2-diol;yttrium IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 ethane-1,2-diol;yttrium IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 ethane-1,2-diol;yttrium IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 ethane-1,2-diol;yttrium IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 ethylene glycol;yttrium InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C2H6O2.Y/c3-1-2-4;/h3-4H,1-2H2; InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 TYOHEABEWXSMIT-UHFFFAOYSA-N Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 150.942618 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C2H6O2Y Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 150.97 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 C(CO)O.[Y] SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 C(CO)O.[Y] 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 2021.05.07 150.942618 5 0 0 0 0 0 0 0 2 -1