57419669 1 2 3 4 5 6 7 46 20 8 8 8 8 6 2 2 3 -1 4 -1 1 3 4 5 6 7 7 7 2 1 1 2 1 5 255 1 2 3 4 5 6 7 0.3536 1.7071 0.7071 1.7071 0 1.3536 0.7071 0 2.5 2.5 3.5 4.2071 0 3.5 0 Compound Canonicalized 5 2012.05.21 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 20.8 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 4 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 00000371000038000000080000080000000000000000000000000000000000000000000000000002000000000000000000000008000000000800000008000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 calcium;oxopalladium;carbonate IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 calcium;oxopalladium;carbonate IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 calcium;oxopalladium;carbonate IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 calcium;oxopalladium;carbonate IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 calcium;oxidanylidenepalladium;carbonate IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 calcium;ketopalladium;carbonate InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/CH2O3.Ca.O.Pd/c2-1(3)4;;;/h(H2,2,3,4);;;/q;+2;;/p-2 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 ROWPGDITTVDAAY-UHFFFAOYSA-L Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 221.84573 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 CCaO4Pd Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.08.13 222.51 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 C(=O)([O-])[O-].O=[Pd].[Ca+2] SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 C(=O)([O-])[O-].O=[Pd].[Ca+2] Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 80.3 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 221.84573 7 0 0 0 0 0 0 0 3 -1