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The molecular formula of 4-tert-Butylphenylacetylene is C12H14.
The IUPAC name of 4-tert-Butylphenylacetylene is 1-tert-butyl-4-ethynylbenzene.
The InChI of 4-tert-Butylphenylacetylene is InChI=1S/C12H14/c1-5-10-6-8-11(9-7-10)12(2,3)4/h1,6-9H,2-4H3.
The InChIKey of 4-tert-Butylphenylacetylene is ZSYQVVKVKBVHIL-UHFFFAOYSA-N.
The canonical SMILES of 4-tert-Butylphenylacetylene is CC(C)(C)C1=CC=C(C=C1)C#C.
The CAS number of 4-tert-Butylphenylacetylene is 772-38-3.
The molecular weight of 4-tert-Butylphenylacetylene is 158.24 g/mol.
The XLogP3-AA value of 4-tert-Butylphenylacetylene is 3.8.
There are 2 rotatable bonds in 4-tert-Butylphenylacetylene.
Yes, 4-tert-Butylphenylacetylene is a canonicalized compound.
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