59959350 1 2 3 4 5 6 7 8 9 39 8 8 6 6 1 1 1 1 6 2 1 2 2 3 4 4 4 4 2 5 9 5 5 6 7 8 6 1 1 2 1 1 1 1 1 5 255 1 2 3 4 5 6 7 8 9 5.135 4.269 3.403 2.5369 3.403 2 2.9355 2.1384 4.269 -0.06 0.44 -1.06 0.44 -0.06 0.13 0.9149 0.9149 1.06 0 Compound Canonicalized 5 2012.05.21 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 34.6 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 1 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 0000037180403000000000000200000000000000000000000000000000000000000000000000001A000008000000008080000208000002000800009008000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 2-deuterioacetic acid;yttrium IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 2-deuterioacetic acid;yttrium IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 2-deuterioacetic acid;yttrium IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 2-deuterioacetic acid;yttrium IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 2-deuterioethanoic acid;yttrium IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 2-deuterioacetic acid;yttrium InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C2H4O2.Y/c1-2(3)4;/h1H3,(H,3,4);/i1D; InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 DUSUCKWNBGMKRV-RWQOXAPSSA-N Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 149.933244 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C2H4O2Y Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 149.96 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CC(=O)O.[Y] SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 [2H]CC(=O)O.[Y] Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 37.3 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 149.933244 5 0 0 0 0 0 0 1 2 -1