59392116 1 2 3 4 5 6 7 8 9 10 11 12 13 104 104 8 8 8 6 6 1 1 1 1 1 1 1 2 3 3 4 4 5 6 6 6 7 7 3 5 6 12 5 7 13 7 8 9 10 11 6 6 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 2 7.1962 2.866 5.4641 6.3301 3.732 4.5981 4.1306 3.3335 4.1996 4.9966 2.866 6.3301 0.56 0.56 0.06 0.56 0.06 0.56 0.06 1.035 1.035 -0.4149 -0.4149 -0.56 -0.56 0 Compound Canonicalized 5 2012.05.21 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 20.4 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 3 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 2 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 0000037180403000000000000000000000000000000000000000000000000000000000000000001A00000C00000000A080020000000002000000000000000000000000000000000000000110000000000000000000000100000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-hydroperoxyethanol;rutherfordium IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-hydroperoxyethanol;rutherfordium IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-hydroperoxyethanol;rutherfordium IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-hydroperoxyethanol;rutherfordium IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-(dioxidanyl)ethanol;rutherfordium IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-hydroperoxyethanol;rutherfordium InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C2H6O3.2Rf/c3-1-2-5-4;;/h3-4H,1-2H2;; InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 JNCZHIDMSJXFKE-UHFFFAOYSA-N Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 612.28 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C2H6O3Rf2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 612.31 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C(COO)O.[Rf].[Rf] SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C(COO)O.[Rf].[Rf] Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 49.7 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 612.28 7 0 0 0 0 0 0 0 3 -1