59431439 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 29 8 8 8 8 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 3 3 4 4 5 5 6 6 6 7 7 8 8 8 9 9 2 3 4 5 9 10 8 11 7 12 6 13 7 14 15 16 17 9 18 19 20 21 6 6 6 6 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 3.3987 2.5896 4.2077 4.2077 2.5896 2.8987 3.8987 3.8987 2.8987 2 4.7973 4.7973 2 2.2922 2.9635 3.8339 4.5051 4.5051 3.8339 2.9635 2.2922 0 0.5878 0.5878 -0.5878 -0.5878 -1.5388 -1.5388 1.5388 1.5388 0.3962 0.3962 -0.3962 -0.3962 -1.6678 -2.1554 -2.1554 -1.6678 1.6678 2.1554 2.1554 1.6678 0 Compound Canonicalized 5 2012.05.21 1 Compound Complexity 7 E_COMPLEXITY 3.408 Cactvs xemistry.com 2012.11.26 20.5 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.408 Cactvs xemistry.com 2012.11.26 4 Count Hydrogen Bond Donor 5 E_NHDONORS 3.408 Cactvs xemistry.com 2012.11.26 4 Count Rotatable Bond 5 E_NROTBONDS 3.408 Cactvs xemistry.com 2012.11.26 0 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.408 Cactvs xemistry.com 2012.11.26 00000371C0603800000000040000000000000000000122400000000000000000000000000000001A00000800000000A080020000000002000000000000000000000000000000000000000110000000000000000000000100000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.2.0 LexiChem openeye.com 2012.11.26 copper;ethylene glycol IUPAC Name CAS-like Style 1 2.2.0 LexiChem openeye.com 2012.11.26 copper;ethane-1,2-diol IUPAC Name Preferred 1 2.2.0 LexiChem openeye.com 2012.11.26 copper;ethane-1,2-diol IUPAC Name Systematic 1 2.2.0 LexiChem openeye.com 2012.11.26 copper;ethane-1,2-diol IUPAC Name Traditional 1 2.2.0 LexiChem openeye.com 2012.11.26 copper;ethylene glycol InChI Standard 1 1.0.4 InChI iupac.org 2012.11.26 InChI=1S/2C2H6O2.Cu/c2*3-1-2-4;/h2*3-4H,1-2H2; InChIKey Standard 1 1.0.4 InChI iupac.org 2012.11.26 OPSFCCBMJHLWGJ-UHFFFAOYSA-N Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 187.003156 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 C4H12CuO4 Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 187.68168 SMILES Canonical 1 1.9.0 OEChem openeye.com 2012.11.26 C(CO)O.C(CO)O.[Cu] SMILES Isomeric 1 1.9.0 OEChem openeye.com 2012.11.26 C(CO)O.C(CO)O.[Cu] Topological Polar Surface Area 7 E_TPSA 3.408 Cactvs xemistry.com 2012.11.26 80.9 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 187.003156 9 0 0 0 0 0 0 0 3 1