23553108 1 2 3 4 5 6 7 8 9 10 11 8 8 6 6 1 1 1 1 1 1 1 1 1 1 1 1 2 2 3 3 3 4 4 3 9 10 4 11 4 5 6 7 8 1 1 1 1 1 1 1 1 1 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 2.5369 5.135 3.403 4.269 3.0044 3.8015 4.6675 3.8705 2 2.5369 5.672 -0.06 -0.56 -0.56 -0.06 -1.035 -1.035 0.4149 0.4149 -0.37 0.56 -0.25 1 Compound Canonicalized 5 2010.01.29 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 8 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 1 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 1 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 0000037180403000000000000000000000000000000000000000000000000000000000000000001A00000800000000A080020000000002000000000000000000000000000000000000000110000000000000000000000100000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-hydroxyethyloxonium IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-hydroxyethyloxonium IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-hydroxyethyloxidanium IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-hydroxyethyloxidanium IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-hydroxyethyloxidanium IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-hydroxyethyloxonium InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2/p+1 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 LYCAIKOWRPUZTN-UHFFFAOYSA-O Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2021.05.07 -1.4 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 63.044604462 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C2H7O2+ Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 63.08 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C(CO)[OH2+] SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C(CO)[OH2+] Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 21.2 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 63.044604462 4 0 0 0 0 0 0 0 1 -1