6101006 1 2 3 4 5 56 22 8 8 8 1 2 3 -1 4 -1 2 2 2 3 4 5 1 1 2 1 5 255 1 2 3 4 5 2 3 2 3 3.7071 -0.8536 0.1464 0.1464 -0.8536 0.8536 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 18.8 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 3 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 0 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 0 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371000030000000020000000400000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 barium(2+);dioxido(oxo)titanium IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 barium(2+);dioxido(oxo)titanium IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 barium(2+);dioxido(oxo)titanium IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 barium(2+);dioxido(oxo)titanium IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 barium(2+);bis(oxidanidyl)-oxidanylidene-titanium IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 barium(2+);keto(dioxido)titanium InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/Ba.3O.Ti/q+2;;2*-1; InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 WNKMTAQXMLAYHX-UHFFFAOYSA-N Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 233.837932 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 BaO3Ti Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 233.19 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 [O-][Ti](=O)[O-].[Ba+2] SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 [O-][Ti](=O)[O-].[Ba+2] Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 63.2 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 233.837932 5 0 0 0 0 0 0 0 2 -1