32524 1 2 3 4 13 8 8 1 1 1 2 2 3 4 1 2 1 1 5 255 1 2 3 4 2.866 3.732 2 4.269 -0.25 0.25 0.25 -0.06 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 10.3 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 2 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 1 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 00000371000030000000100000000000000000000000000000000000000000000000000000000000000008800000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 hydroxy(oxo)alumane IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 hydroxy(oxo)alumane IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 hydroxy(oxo)alumane IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 hydroxy(oxo)alumane IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 oxidanyl(oxidanylidene)alumane IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 hydroxy(keto)alumane InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/Al.H2O.O/h;1H2;/q+1;;/p-1 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 FAHBNUUHRFUEAI-UHFFFAOYSA-M Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 59.9791927 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 AlHO2 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 59.988 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 O[Al]=O SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 O[Al]=O Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 37.3 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 59.9791927 3 0 0 0 0 0 0 0 1 -1