59953802 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 39 8 6 6 6 6 1 1 1 1 1 1 1 1 1 1 4 -1 6 -1 1 1 2 2 3 3 3 4 4 5 5 5 6 6 6 4 6 3 13 4 5 7 8 9 10 11 12 14 15 16 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 3 2 4 5 7 3 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 5.135 2.5369 3.403 4.269 3.403 6.001 3.403 4.579 3.959 2.783 3.403 4.023 2 6.538 6.311 5.691 0.9815 0.4815 -0.0185 0.4815 -1.0185 0.4815 0.6015 -0.0554 1.0185 -1.0185 -1.6385 -1.0185 0.1715 0.1715 1.0185 -0.0554 3 3 2 -2 Compound Canonicalized 5 2012.05.21 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 17 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 3 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 00000371C0602000000000000200000000000000000000000000000000000000000000000000001A00000800000814A080020200000002000000000000000000000000000000000000000010000000000000000000000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 carbanide;propan-2-ol;yttrium IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 carbanide;2-propanol;yttrium IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 carbanide;propan-2-ol;yttrium IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 carbanide;propan-2-ol;yttrium IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 carbanide;propan-2-ol;yttrium IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 carbanide;propan-2-ol;yttrium InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C3H7O.CH3.Y/c1-3(2)4;;/h3-4H,1H2,2H3;1H3;/q2*-1; InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 JWXIWIGOMKLOPX-UHFFFAOYSA-N Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 162.979003 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C4H10OY-2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 163.03 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 [CH3-].CC([CH2-])O.[Y] SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 [CH3-].CC([CH2-])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 2021.05.07 162.979003 6 1 0 1 0 0 0 0 3 -1