58771235 1 2 3 4 5 6 7 8 9 10 37 8 8 6 6 1 1 1 1 1 1 1 4 -1 1 2 2 3 3 4 4 5 5 4 4 9 5 10 5 6 7 8 7 1 1 1 1 1 1 1 1 1 5 255 1 2 3 4 5 6 7 8 9 10 2.366 2 4.5981 2.866 3.732 3.176 4.1306 3.3335 2 5.135 0.993 -0.373 0.127 0.127 0.627 -0.4099 1.1019 1.1019 -0.993 0.437 0 Compound Canonicalized 5 2012.05.21 1 Compound Complexity 7 E_COMPLEXITY 3.408 Cactvs xemistry.com 2012.11.26 11.6 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.408 Cactvs xemistry.com 2012.11.26 3 Count Hydrogen Bond Donor 5 E_NHDONORS 3.408 Cactvs xemistry.com 2012.11.26 2 Count Rotatable Bond 5 E_NROTBONDS 3.408 Cactvs xemistry.com 2012.11.26 1 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.408 Cactvs xemistry.com 2012.11.26 0000037180403000000000000800000000000000000000000000000000000000000000000000001A00000800000000A080020000000002000000000000000000000000000000000000000110000000000000000000000100000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.2.0 LexiChem openeye.com 2012.11.26 ethane-1,2-diol;rubidium(1+) IUPAC Name CAS-like Style 1 2.2.0 LexiChem openeye.com 2012.11.26 ethane-1,2-diol;rubidium(1+) IUPAC Name Preferred 1 2.2.0 LexiChem openeye.com 2012.11.26 ethane-1,2-diol;rubidium(1+) IUPAC Name Systematic 1 2.2.0 LexiChem openeye.com 2012.11.26 ethane-1,2-diol;rubidium(1+) IUPAC Name Traditional 1 2.2.0 LexiChem openeye.com 2012.11.26 ethane-1,2-diol;rubidium(1+) InChI Standard 1 1.0.4 InChI iupac.org 2012.11.26 InChI=1S/C2H5O2.Rb/c3-1-2-4;/h1,3-4H,2H2;/q-1;+1 InChIKey Standard 1 1.0.4 InChI iupac.org 2012.11.26 RYQIQBITLQBMJK-UHFFFAOYSA-N Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 145.940744 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 C2H5O2Rb Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 146.5277 SMILES Canonical 1 1.9.0 OEChem openeye.com 2012.11.26 C([CH-]O)O.[Rb+] SMILES Isomeric 1 1.9.0 OEChem openeye.com 2012.11.26 C([CH-]O)O.[Rb+] Topological Polar Surface Area 7 E_TPSA 3.408 Cactvs xemistry.com 2012.11.26 40.5 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 145.940744 5 0 0 0 0 0 0 0 2 1