57448735 1 2 3 4 5 6 7 46 8 6 1 1 1 1 1 3 3 3 3 2 4 5 6 7 2 1 1 1 1 1 5 255 1 2 3 4 5 6 7 0.0369 1.0369 0.5369 1.0739 0 0.2269 0.8469 0 0 3.0369 3.3469 2.7269 3.5739 2.5 0 Compound Canonicalized 5 2012.05.21 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 2 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 1 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 00000371800020000000000000080000000000000000000000000000000000000000000000000010000000000000000000000200000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 methane;oxopalladium IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 methane;oxopalladium IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 methane;oxopalladium IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 methane;oxopalladium IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 methane;oxidanylidenepalladium IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 ketopalladium;methane InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/CH4.O.Pd/h1H4;; InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 ZOPQQXGBXDQRSA-UHFFFAOYSA-N Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 137.92970 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 CH4OPd Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.08.13 138.46 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 C.O=[Pd] SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 C.O=[Pd] Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 17.1 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 137.92970 3 0 0 0 0 0 0 0 2 -1