10229-10-4 Purity
>98.0%(GC)
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Specification
The molecular formula of the compound is C6H10O.
The molecular weight of the compound is 98.14 g/mol.
The IUPAC name of the compound is hex-3-yn-2-ol.
The InChI of the compound is InChI=1S/C6H10O/c1-3-4-5-6(2)7/h6-7H,3H2,1-2H3.
The InChIKey of the compound is IFCAMPHNVKBSTF-UHFFFAOYSA-N.
The Canonical SMILES of the compound is CCC#CC(C)O.
The CAS number of the compound is 109-50-2.
The European Community (EC) number of the compound is 203-676-7.
The XLogP3-AA value of the compound is 1.
Yes, the compound is canonically defined.