CAS
913642-78-1 Purity
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913642-78-1 Purity
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Specification
The molecular formula is C10H14.
It was created on 2007-02-08 and modified on 2023-12-30.
The IUPAC name is 1-ethynyl-6,6-dimethylcyclohexene.
The InChI is InChI=1S/C10H14/c1-4-9-7-5-6-8-10(9,2)3/h1,7H,5-6,8H2,2-3H3.
The InChIKey is PACPXPMVCDQJLV-UHFFFAOYSA-N.
The canonical SMILES is CC1(CCCC=C1C#C)C.
The molecular weight is 134.22 g/mol.
There are 0 hydrogen bond donor counts.
There is 1 rotatable bond count.
Yes, the compound is canonicalized in PubChem.