CAS
98187-18-9 Purity
96%
98187-18-9 Purity
96%
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The molecular formula is C12H18.
Some synonyms include 5-tert-Butyl-m-xylene and Benzene, 1-(1,1-dimethylethyl)-3,5-dimethyl.
The molecular weight is 162.27 g/mol.
The IUPAC name is 1-tert-butyl-3,5-dimethylbenzene.
The InChI is InChI=1S/C12H18/c1-9-6-10(2)8-11(7-9)12(3,4)5/h6-8H,1-5H3.
The InChIKey is FZSPYHREEHYLCB-UHFFFAOYSA-N.
It has 0 hydrogen bond donor counts.
The topological polar surface area is 0-2.
It has 0 defined bond stereocenter counts.
Yes, it is considered a canonicalized compound.