10176082 1 2 3 4 5 6 7 13 8 8 8 1 1 1 1 3 2 -1 3 -1 4 -1 2 3 4 5 6 7 1 1 1 1 5 255 1 2 3 4 5 6 7 3.403 4.269 2.5369 3.403 4.8059 2 2.866 0.405 0.905 0.905 -0.595 0.595 0.595 -0.905 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 0 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 3 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 00000371000030000000100000000000000000000000000000000000000000000000000000000000000008000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 aluminum;trihydroxide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 aluminum;trihydroxide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 aluminum;trihydroxide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 aluminum;trihydroxide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 aluminum;trihydroxide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 aluminum;trihydroxide InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/Al.3H2O/h;3*1H2/q+3;;;/p-3 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 WNROFYMDJYEPJX-UHFFFAOYSA-K Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 77.9897574 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 AlH3O3 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 78.004 ReferenceStandardization Structure 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 Bypass - this structure was created from CID 10176082 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 [OH-].[OH-].[OH-].[Al+3] SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 [OH-].[OH-].[OH-].[Al+3] Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 3 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 77.9897574 4 0 0 0 0 0 0 0 4 -1