58854937 1 2 3 4 5 6 7 8 9 10 11 12 13 39 39 39 39 39 39 39 39 39 39 39 39 39 1 1 1 1 1 1 1 1 1 1 1 1 2 3 4 5 6 7 8 9 10 11 12 13 6 6 6 6 6 6 6 6 6 6 6 6 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 3 3.866 2.134 2 2.5 2.134 3 3.5 2.5 3 3.866 4 3.5 0 0.5 -0.5 -0 -0.866 0.5 -1 -0.866 0.866 1 -0.5 -0 0.866 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 0 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 0 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 0 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 00000371000000000000000002000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 yttrium IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 yttrium IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 yttrium IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 yttrium IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 yttrium IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 yttrium InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/13Y InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 PDQGJBHHMNVXOM-UHFFFAOYSA-N Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 1155.77590 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 Y13 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.08.13 1155.7759 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 [Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y] SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 [Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y] Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 0 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 1155.77590 13 0 0 0 0 0 0 0 13 -1