60207518 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 8 8 8 8 8 7 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 2 2 3 3 4 5 6 6 7 7 7 8 8 11 11 11 9 17 10 18 6 11 9 10 19 20 8 9 12 10 13 14 15 16 1 1 1 1 1 1 2 2 1 1 2 1 1 1 1 1 1 1 7 9 12 8 10 13 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 0.5369 4.001 2.0005 1.403 2.269 2.8665 2.269 3.135 1.403 3.135 1.1345 2.269 3.672 1.4445 0.5976 0.8245 0 4.001 3.4035 2.8665 5.7769 3.7769 0.0369 4.2769 3.7769 0.5369 5.7769 5.2769 5.2769 4.2769 0.5369 6.3969 5.5869 1.0739 0.8469 0 5.4669 3.1569 0.2269 1.1569 0 Compound Canonicalized 5 2021.05.07 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 124 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 6 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 3 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 2 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371C0623800000000000000000000000000000000000000000000000000000000000000001A00140800000800808002020800000200880020D208000000000000000808000000400004000000000010000000000011800000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 maleic acid;O-methylhydroxylamine IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (Z)-2-butenedioic acid;O-methylhydroxylamine IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (<I>Z</I>)-but-2-enedioic acid;<I>O</I>-methylhydroxylamine IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (Z)-but-2-enedioic acid;O-methylhydroxylamine IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (Z)-but-2-enedioic acid;O-methylhydroxylamine IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 maleic acid;O-methylhydroxylamine InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C4H4O4.CH5NO/c5-3(6)1-2-4(7)8;1-3-2/h1-2H,(H,5,6)(H,7,8);2H2,1H3/b2-1-; InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 FMQKLUVGXZJZIB-ODZAUARKSA-N Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 163.04807239 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C5H9NO5 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 163.13 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CON.C(=CC(=O)O)C(=O)O SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CON.C(=C\C(=O)O)\C(=O)O Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 110 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 163.04807239 11 0 0 0 1 1 0 0 2 -1