CAS
622-76-4 Purity
>99.0%(GC)
622-76-4 Purity
>99.0%(GC)
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Specification
The molecular formula is C7H12O.
The molecular weight is 112.17 g/mol.
The IUPAC name is 3-ethylpent-1-yn-3-ol.
The InChI is InChI=1S/C7H12O/c1-4-7(8,5-2)6-3/h1,8H,5-6H2,2-3H3.
The InChIKey is PUNRPAWKFTXZIW-UHFFFAOYSA-N.
The canonical SMILES is CCC(CC)(C#C)O.
The CAS number is 6285-06-9.
The European Community (EC) number is 228-512-1.
The DSSTox Substance ID is DTXSID30212018.
Yes, 3-Ethyl-1-pentyn-3-ol is canonicalized according to PubChem.