60140936 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 39 8 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 5 -1 1 2 2 3 3 3 3 4 5 5 6 6 6 7 8 9 9 9 10 10 11 11 12 12 13 5 4 8 4 5 14 15 7 9 16 7 8 10 17 11 18 19 20 12 21 13 22 13 23 24 6 1 1 1 1 1 1 2 1 1 1 1 2 1 2 1 1 1 1 1 1 1 2 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 22 23 24 7.2619 4.6783 6.2619 5.2619 6.7619 3.732 4.6783 3.732 7.6279 2.866 2.866 2 2 6.8445 6.1542 6.2249 4.8709 7.9379 8.1648 7.3179 2.866 2.866 1.4631 1.4631 -1.366 -0.4387 0.366 0.366 -0.5 0.866 1.1708 -0.134 0 1.366 -0.634 0.866 -0.134 0.5781 0.9766 -0.81 1.7601 -0.5369 0.31 0.5369 1.986 -1.254 1.176 -0.444 8 8 8 8 8 8 8 8 8 8 2 2 4 6 6 6 8 10 11 12 4 8 7 7 8 10 11 12 13 13 -1 Compound Canonicalized 5 2012.05.21 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 149 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 2 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 0 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 2 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371C070200000000000020000000000000000012000000030000000000000004801F000001A00000000000C048098003206C00004408802A05200000208002420000888010608C80C263284351A823920A4C01108A98788C8E08E00000000000800000000000000100000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-propylbenzofuran;yttrium IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-propylbenzofuran;yttrium IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-propyl-1-benzofuran;yttrium IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-propyl-1-benzofuran;yttrium IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-propyl-1-benzofuran;yttrium IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-propylbenzofuran;yttrium InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C11H11O.Y/c1-2-5-10-8-9-6-3-4-7-11(9)12-10;/h2-4,6-8H,5H2,1H3;/q-1; InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 VUXBMFOMVSPRTD-UHFFFAOYSA-N Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 247.986828 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C11H11OY- Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 248.11 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C[CH-]CC1=CC2=CC=CC=C2O1.[Y] SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C[CH-]CC1=CC2=CC=CC=C2O1.[Y] Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 13.1 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 247.986828 13 0 0 0 0 0 0 0 2 -1