16683023 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 80 8 8 8 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 2 3 3 4 5 5 5 6 6 6 7 7 9 9 10 10 11 11 12 12 13 2 7 8 5 23 8 6 8 14 15 16 17 9 10 11 18 12 19 13 20 13 21 22 1 1 1 1 1 2 1 1 1 1 1 1 2 1 1 1 2 1 2 1 1 1 1 5 3 6 8 14 3 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 22 23 2.866 3.732 4.5981 2.866 4.5981 5.4641 2.866 3.732 2 3.732 2 3.732 2.866 5.135 5.1541 6.001 5.7741 1.4631 4.269 1.4631 4.269 2.866 5.135 -0.155 0.345 2.845 1.845 1.845 1.345 -1.155 1.345 -1.655 -1.655 -2.655 -2.655 -3.155 2.155 0.8081 1.035 1.8819 -1.345 -1.345 -2.965 -2.965 -3.775 3.155 3 8 8 8 8 8 8 5 7 7 9 10 11 12 3 9 10 11 12 13 13 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 166 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 3 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 4 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371C0703000000000000000000100000000000000000000300000000000000000010000001A00000800000814A09002320880000200880020D208020200002000000888014000880930228011108020002080000988070000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-hydroxypropanoyloxy(phenyl)mercury IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (2-hydroxy-1-oxopropoxy)-phenylmercury IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-hydroxypropanoyloxy(phenyl)mercury IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-hydroxypropanoyloxy(phenyl)mercury IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-oxidanylpropanoyloxy(phenyl)mercury IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 lactoyloxy(phenyl)mercury InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C6H5.C3H6O3.Hg/c1-2-4-6-5-3-1;1-2(4)3(5)6;/h1-5H;2,4H,1H3,(H,5,6);/q;;+1/p-1 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 RRFGSWMKSSCUSU-UHFFFAOYSA-M Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 368.033638 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C9H10HgO3 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 366.77 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC(C(=O)O[Hg]C1=CC=CC=C1)O SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC(C(=O)O[Hg]C1=CC=CC=C1)O Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 46.5 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 368.033638 13 1 0 1 0 0 0 0 1 -1