57453178 1 2 3 4 5 6 7 8 46 8 8 6 1 1 1 1 1 2 2 4 4 4 3 4 8 5 6 7 2 1 1 1 1 1 1 5 255 1 2 3 4 5 6 7 8 0.4699 0.5369 1.47 1.403 1.713 1.9399 1.093 0 0 2.5369 0 3.0369 2.5 3.3469 3.5739 2.8469 0 Compound Canonicalized 5 2012.05.21 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 4 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 00000371800030000000000000080000000000000000000000000000000000000000000000000012000008000000000000020200000002000000000000000000000000000000000000000010000000000000000000000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 methanol;oxopalladium IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 methanol;oxopalladium IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 methanol;oxopalladium IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 methanol;oxopalladium IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 methanol;oxidanylidenepalladium IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 ketopalladium;methanol InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/CH4O.O.Pd/c1-2;;/h2H,1H3;; InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 DUXAJJNFMNFOCZ-UHFFFAOYSA-N Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 153.92461 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 CH4O2Pd Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.08.13 154.46 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CO.O=[Pd] SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CO.O=[Pd] 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 2021.05.07 153.92461 4 0 0 0 0 0 0 0 2 -1