60119270 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 29 8 8 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 3 1 6 -1 1 1 1 2 2 2 3 3 3 4 4 4 5 5 6 6 6 7 7 7 8 8 8 2 3 6 4 9 10 5 11 12 5 13 14 15 16 7 8 17 18 19 20 21 22 23 6 6 6 1 1 1 1 1 1 1 1 1 1 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 14 15 16 17 18 19 20 21 22 23 3.3987 4.2077 2.5896 3.8987 2.8987 3.3987 3.3987 2.3987 4.7973 4.5721 2 2.2252 4.5051 3.8339 2.9635 2.2922 4.0187 2.7787 3.3987 4.0187 2.3987 1.7787 2.3987 0.2306 0.8184 0.8184 1.7694 1.7694 -0.7694 -1.7694 -0.7694 1.0099 0.3168 1.0099 0.3168 1.8983 2.386 2.386 1.8983 -0.7694 -1.7694 -2.3894 -1.7694 -0.1494 -0.7694 -1.3894 2 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 17.9 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 0 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371C0603000000000040000000000000000000120000000000000000000000000000000001A00000800000800A080020200000002000000000000000000000000000000000000000110000000000000000000000100000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 cuprous;2-oxonioethyloxonium;propane IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 copper(1+);2-oxonioethyloxonium;propane IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 copper(1+);2-oxonioethyloxidanium;propane IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 copper(1+);2-oxonioethyloxidanium;propane IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 copper(1+);2-oxidaniumylethyloxidanium;propane IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 cuprous;2-oxonioethyloxonium;propane InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C3H7.C2H6O2.Cu/c1-3-2;3-1-2-4;/h3H,1-2H3;3-4H,1-2H2;/q-1;;+1/p+2 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 AHAPEVJIUYXXDD-UHFFFAOYSA-P Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 170.036802 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C5H15CuO2+2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 170.72 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C[CH-]C.C(C[OH2+])[OH2+].[Cu+] SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C[CH-]C.C(C[OH2+])[OH2+].[Cu+] Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 2 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 170.036802 8 0 0 0 0 0 0 0 3 -1