58720082 1 2 3 4 5 6 7 8 9 46 19 8 8 6 6 1 1 1 5 -1 2 2 1 1 1 3 5 6 6 6 2 4 5 5 6 7 8 9 6 2 6 2 1 1 1 1 1 5 255 1 2 3 4 5 6 7 8 9 2.866 2 3.732 2.866 3.732 4.5981 4.2881 5.135 4.9081 -0.25 0.25 1.25 -1.25 0.25 -0.25 -0.7869 -0.56 0.2869 -1 Compound Canonicalized 5 2012.05.21 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 25.5 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 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 0000037100403000004000000008000000000000000000000000000000000000000000000000001A000000000000008080000200000000000800001000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000 InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C2H3O.K.O.Pd/c1-2-3;;;/h1H3;;;/q-1;;; InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 ZISUGEYBKLVHDW-UHFFFAOYSA-N Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 203.88049 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C2H3KO2Pd- Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.08.13 204.56 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 C[C-]=O.O=[Pd].[K] SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 C[C-]=O.O=[Pd].[K] Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 34.1 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 203.88049 6 0 0 0 0 0 0 0 3 -1