16685054 1 2 3 4 5 6 7 13 13 13 13 6 6 6 1 1 2 2 3 4 5 6 5 7 6 7 2 1 2 1 3 3 1 5 255 1 2 3 4 5 6 7 5.4641 3.732 7.1962 2 4.5981 6.3301 2.866 0.5 -0.5 -0.5 0.5 0 0 -0 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 164 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 0 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 00000371004000000000100000000000000000000000000000000000000000000000000000000000200000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 alumanylidynemethyl(alumanylidynemethylalumanylidenemethylene)alumane IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 alumanylidynemethyl(alumanylidynemethylalumanylidenemethylidene)alumane IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 alumanylidynemethyl(alumanylidynemethylalumanylidenemethylidene)alumane IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 alumanylidynemethyl(alumanylidynemethylalumanylidenemethylidene)alumane IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 alumanylidynemethyl(alumanylidynemethylalumanylidenemethylidene)alumane IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 alumanylidynemethyl(alumanylidynemethylalumanylidenemethylene)alumane InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/3C.4Al InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 CAVCGVPGBKGDTG-UHFFFAOYSA-N Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 143.926154 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C3Al4 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 143.96 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C(#[Al])[Al]=C=[Al]C#[Al] SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C(#[Al])[Al]=C=[Al]C#[Al] Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 0 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 143.926154 7 0 0 0 0 0 0 0 1 1