57957821 1 2 3 4 5 6 7 8 9 10 11 12 39 8 6 6 6 1 1 1 1 1 1 1 3 -1 1 2 2 3 3 4 4 4 5 5 5 3 3 12 4 5 6 7 8 9 10 11 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 2 3.732 2.866 2.366 3.366 2.903 2.056 1.8291 2.8291 3.676 3.903 4.269 -0.5 0.5 0 0.866 -0.866 1.176 1.403 0.556 -1.176 -1.403 -0.556 0.19 -1 Compound Canonicalized 5 2019.01.04 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 0000037180402000000000000200000000000000000000000000000000000000000000000000001A000008000008048080000200000002000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 propan-2-ol;yttrium IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 2-propanol;yttrium IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 propan-2-ol;yttrium IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 propan-2-ol;yttrium IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 propan-2-ol;yttrium IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 propan-2-ol;yttrium InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C3H7O.Y/c1-3(2)4;/h4H,1-2H3;/q-1; InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 GRAFIRIGAXYNJA-UHFFFAOYSA-N Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 147.955528 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C3H7OY- Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 147.99 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 C[C-](C)O.[Y] SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 C[C-](C)O.[Y] 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 2021.05.07 147.955528 5 0 0 0 0 0 0 0 2 -1