CAS
32870-98-7 Purity
>98.0%(GC)
32870-98-7 Purity
>98.0%(GC)
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Specification
The molecular formula is C11H12.
The molecular weight is 144.21 g/mol.
It was created on July 12, 2007.
It was last modified on November 25, 2023.
The IUPAC name is 1-ethynyl-2,4,5-trimethylbenzene.
The InChI is InChI=1S/C11H12/c1-5-11-7-9(3)8(2)6-10(11)4/h1,6-7H,2-4H3.
The InChIKey is FXHLQHXVJWYAGQ-UHFFFAOYSA-N.
The canonical SMILES is CC1=CC(=C(C=C1C)C#C)C.
Yes, the CAS number is 351002-92-1.
The XLogP3-AA value is 3.3.