6537495 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 48 8 8 8 8 8 8 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 2 2 -1 3 -1 2 3 4 5 6 6 7 7 8 8 8 8 9 9 9 9 10 11 10 11 18 19 20 21 10 12 13 14 11 15 16 17 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 3.135 2.269 4.001 1.403 4.8671 3.135 3.135 0.5369 5.7331 1.403 4.8671 0.8469 0 0.2269 6.0431 6.27 5.4231 3.672 2.5981 3.672 2.5981 1 1.5 1.5 0 0 4.0369 6.5369 1.5 1.5 1 1 2.0369 1.81 0.9631 0.9631 1.81 2.0369 4.3469 4.3469 6.8469 6.8469 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 25.5 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 6 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 2 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 0 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371C0603800000000000002000000000000000000000000000000000000000000000000001A000008000000008080000208000000000800009008000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 cadmium(2+);diacetate;dihydrate IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 cadmium(2+);diacetate;dihydrate IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 cadmium(2+);diacetate;dihydrate IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 cadmium(2+);diacetate;dihydrate IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 cadmium(2+);diethanoate;dihydrate IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 cadmium(2+);diacetate;dihydrate InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/2C2H4O2.Cd.2H2O/c2*1-2(3)4;;;/h2*1H3,(H,3,4);;2*1H2/q;;+2;;/p-2 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 AUIZLSZEDUYGDE-UHFFFAOYSA-L Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 267.951103 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C4H10CdO6 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 266.53 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC(=O)[O-].CC(=O)[O-].O.O.[Cd+2] SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC(=O)[O-].CC(=O)[O-].O.O.[Cd+2] Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 82.3 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 267.951103 11 0 0 0 0 0 0 0 5 -1