60161332 1 2 3 4 5 6 7 8 9 10 11 12 69 8 8 8 6 6 1 1 1 1 1 1 1 2 2 3 4 4 5 5 5 5 2 6 10 6 11 12 6 7 8 9 6 1 1 2 1 1 1 1 1 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 3.135 2.269 1.403 1.5675 0.5369 1.403 0.8469 0 0.2269 2.269 2.1044 1.0306 1 1.5 0 4.12 1.5 1 2.0369 1.81 0.9631 2.12 4.43 4.43 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 3 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 0 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 0000037180403000000000000000000000010000000000000000000000000000000000000000001A000008000000008080000208000002000800009008000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 acetic acid;thulium;hydrate IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 acetic acid;thulium;hydrate IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 acetic acid;thulium;hydrate IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 acetic acid;thulium;hydrate IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 ethanoic acid;thulium;hydrate IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 acetic acid;thulium;hydrate InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C2H4O2.H2O.Tm/c1-2(3)4;;/h1H3,(H,3,4);1H2; InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 FUIDDQQAFJYALS-UHFFFAOYSA-N Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 246.965913 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C2H6O3Tm Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 247.00 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CC(=O)O.O.[Tm] SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CC(=O)O.O.[Tm] Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 38.3 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 246.965913 6 0 0 0 0 0 0 0 3 -1