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The molecular formula of 1,3,5-Trihydroxyadamantane is C10H16O3.
The molecular weight of 1,3,5-Trihydroxyadamantane is 184.23 g/mol.
The IUPAC name of 1,3,5-Trihydroxyadamantane is adamantane-1,3,5-triol.
The InChI of 1,3,5-Trihydroxyadamantane is InChI=1S/C10H16O3/c11-8-1-7-2-9(12,4-8)6-10(13,3-7)5-8/h7,11-13H,1-6H2.
The InChIKey of 1,3,5-Trihydroxyadamantane is MCYBYTIPMYLHAK-UHFFFAOYSA-N.
The canonical SMILES of 1,3,5-Trihydroxyadamantane is C1C2CC3(CC1(CC(C2)(C3)O)O)O.
The CAS number of 1,3,5-Trihydroxyadamantane is 99181-50-7.
The DSSTox Substance ID of 1,3,5-Trihydroxyadamantane is DTXSID50432519.
The XLogP3-AA value of 1,3,5-Trihydroxyadamantane is -0.5.
Yes, 1,3,5-Trihydroxyadamantane is a canonicalized compound.
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