72297148 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 2 2 3 3 4 4 5 5 6 6 6 7 7 8 8 8 9 9 6 18 7 19 8 20 9 21 7 10 11 12 13 9 14 15 16 17 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 0 3.0369 5.635 3.0369 5.635 3.903 4.769 3.903 4.769 3.5044 4.3015 5.1675 4.3705 3.5044 4.3015 5.1675 4.3705 2.5 6.172 2.5 6.172 2.1999 0.9749 0.4749 4.4248 3.9248 0.4749 0.9749 3.9248 4.4248 0 0 1.4499 1.4499 3.4499 3.4499 4.8998 4.8998 0.6649 0.7849 4.1148 4.2348 0 Compound Canonicalized 5 2012.11.26 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 6 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 4 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 4 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 2 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371C0603800000000040000000000000000000000000000000000000000000000000000001A00000800000000A080020000000002000000000000000000000000000000000000000110000000000000000000000100000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 copper;ethylene glycol IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 copper;ethane-1,2-diol IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 copper;ethane-1,2-diol IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 copper;ethane-1,2-diol IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 copper;ethane-1,2-diol IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 copper;ethylene glycol InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/2C2H6O2.Cu/c2*3-1-2-4;/h2*3-4H,1-2H2; InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 OPSFCCBMJHLWGJ-UHFFFAOYSA-N Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 187.003156 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C4H12CuO4 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 187.68 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 C(CO)O.C(CO)O.[Cu] SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 C(CO)O.C(CO)O.[Cu] Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 80.9 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 187.003156 9 0 0 0 0 0 0 0 3 -1