58952821 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 104 104 39 39 8 8 8 8 6 6 6 6 1 1 1 1 1 2 3 4 5 5 6 6 7 8 9 9 9 10 10 3 4 5 6 11 15 12 16 11 12 10 11 13 12 14 6 6 6 6 1 1 1 1 2 2 2 1 1 1 1 9 11 13 10 12 14 1 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 8.0622 2 7.1962 2.866 7.1962 3.732 5.4641 4.5981 6.3301 5.4641 6.3301 4.5981 6.8671 5.4641 7.7331 3.732 -2.06 1.44 -1.56 0.94 -0.56 1.44 -0.56 -0.06 0.94 1.44 -0.06 0.94 1.25 2.06 -0.25 2.06 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 134 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 2 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 2 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 0000037180603800000000000200000000000000000000000000000000000000000000000000001A00000800000800808000000800000200880020D208000000000000000808000000400004000000000010000000000011800000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 maleic acid;rutherfordium;yttrium IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (Z)-2-butenedioic acid;rutherfordium;yttrium IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (<I>Z</I>)-but-2-enedioic acid;rutherfordium;yttrium IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (Z)-but-2-enedioic acid;rutherfordium;yttrium IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (Z)-but-2-enedioic acid;rutherfordium;yttrium IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 maleic acid;rutherfordium;yttrium InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C4H4O4.2Rf.2Y/c5-3(6)1-2-4(7)8;;;;/h1-2H,(H,5,6)(H,7,8);;;;/b2-1-;;;; InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 JDEGJHBUVMXJMH-SQDRRJMKSA-N Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 828.07 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C4H4O4Rf2Y2 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 828.13 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C(=CC(=O)O)C(=O)O.[Y].[Y].[Rf].[Rf] SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C(=C\C(=O)O)\C(=O)O.[Y].[Y].[Rf].[Rf] Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 74.6 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 828.07 12 0 0 0 1 1 0 0 5 -1