57454314 1 2 3 4 5 6 50 8 8 6 1 1 1 3 2 2 3 4 4 6 4 5 1 1 2 1 1 5 255 1 2 3 4 5 6 0.8845 1.732 0 0.866 0.866 2.269 0 3.62 3.62 3.12 2.5 3.31 0 Compound Canonicalized 5 2012.05.21 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 10.3 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 00000371000030000000000000008000000000000000000000000000000000000000000000000012000008000000000000030008000002000800000088000000000000000000000000000010000000000000000000000000000000000000000000000000000000000000000000000000000000 InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/CH2O2.Sn/c2-1-3;/h1H,(H,2,3); InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 PTSNAAXZLFGCNO-UHFFFAOYSA-N Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 165.907682 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 CH2O2Sn Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 164.74 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 C(=O)O.[Sn] SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 C(=O)O.[Sn] 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 2021.05.07 165.907682 4 0 0 0 0 0 0 0 2 -1