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The molecular formula is C12H18.
The molecular weight is 162.27 g/mol.
The IUPAC name is 4-tert-butyl-1,2-dimethylbenzene.
The InChI is InChI=1S/C12H18/c1-9-6-7-11(8-10(9)2)12(3,4)5/h6-8H,1-5H3.
The InChIKey is QRPPSTNABSMSCS-UHFFFAOYSA-N.
The Canonical SMILES is CC1=C(C=C(C=C1)C(C)(C)C)C.
The CAS number is 7397-06-0.
The European Community (EC) Number is 625-953-5.
The DSSTox Substance ID is DTXSID7064659.
Yes, the compound is canonicalized.
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