57872316 1 2 3 4 5 6 7 8 9 10 11 12 27 8 6 6 6 1 1 1 1 1 1 1 3 -1 1 1 2 2 3 3 4 4 4 5 5 5 2 3 3 6 4 5 7 8 9 10 11 12 6 6 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 3.866 3.366 2.866 2.866 2 3.366 3.486 2.866 2.246 1.69 1.4631 2.31 0.243 -0.623 0.243 1.243 -0.257 -1.243 1.243 1.863 1.243 0.2799 -0.567 -0.7939 -1 Compound Canonicalized 5 2012.05.21 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 14.4 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 2 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 0 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 0000037180402000000000100000000000001200000000000000000000000000000000000000001A000008000008048080000200000002000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 cobalt;propan-2-ol IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 cobalt;2-propanol IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 cobalt;propan-2-ol IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 cobalt;propan-2-ol IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 cobalt;propan-2-ol IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 cobalt;propan-2-ol InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C3H7O.Co/c1-3(2)4;/h4H,1-2H3;/q-1; InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 GLUXMGUGOPVHKM-UHFFFAOYSA-N Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 117.982883 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C3H7CoO- Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 118.02 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 C[C-](C)O.[Co] SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 C[C-](C)O.[Co] Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 20.2 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 117.982883 5 0 0 0 0 0 0 0 2 -1