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The molecular formula is C10H14.
The computed IUPAC name is 1,2,4,5-tetradeuterio-3-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-6-(trideuteriomethyl)benzene.
The InChI is InChI=1S/C10H14/c1-8(2)10-6-4-9(3)5-7-10/h4-8H,1-3H3/i1D3,2D3,3D3,4D,5D,6D,7D,8D.
The InChIKey is HFPZCAJZSCWRBC-UYAILFBOSA-N.
The canonical SMILES is CC1=CC=C(C=C1)C(C)C.
The isomeric SMILES is [2H]C1=C(C(=C(C(=C1C([2H])([2H])[2H])[2H])[2H])C([2H])(C([2H])([2H])[2H])C([2H])([2H])[2H])[2H].
The molecular weight is 148.30 g/mol.
The XLogP3 value is 4.1.
There is 1 rotatable bond in the compound.
Yes, the compound is canonicalized.
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