10589 1 2 3 4 5 6 7 26 8 8 8 8 6 6 1 2 2 -1 3 -1 2 3 4 5 6 6 7 6 7 7 1 1 2 2 1 1 5 255 1 2 3 4 5 6 7 4.5691 3.7601 4.2601 2 2.6723 2.9511 3.2601 -0.5861 -1.1739 0.3649 -0.8952 1.1739 -0.5861 0.3649 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 60.5 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 4 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 0 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 0000037100403800000000200000000000000000000000000000000000000000000000000000000A000000000000000080000008000000000800009008020000000000000000004000000100000000000000000000000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 ferrous;oxalate IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 iron(2+);oxalate IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 iron(2+);oxalate IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 iron(2+);oxalate IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 ethanedioate;iron(2+) IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 ferrous;oxalate InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C2H2O4.Fe/c3-1(4)2(5)6;/h(H,3,4)(H,5,6);/q;+2/p-2 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 OWZIYWAUNZMLRT-UHFFFAOYSA-L Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 143.914594 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C2FeO4 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 143.86 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C(=O)(C(=O)[O-])[O-].[Fe+2] SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C(=O)(C(=O)[O-])[O-].[Fe+2] Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 80.3 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 143.914594 7 0 0 0 0 0 0 0 2 -1