1940-19-8 Purity
96%
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Specification
The molecular formula of 1,6-Heptadiyne is C7H8.
The molecular weight of 1,6-Heptadiyne is 92.14 g/mol.
The IUPAC name of 1,6-Heptadiyne is hepta-1,6-diyne.
The InChI of 1,6-Heptadiyne is InChI=1S/C7H8/c1-3-5-7-6-4-2/h1-2H,5-7H2.
The InChIKey of 1,6-Heptadiyne is RSPZSDWVQWRAEF-UHFFFAOYSA-N.
The canonical SMILES of 1,6-Heptadiyne is C#CCCCC#C.
The CAS number of 1,6-Heptadiyne is 2396-63-6.
The European Community (EC) number of 1,6-Heptadiyne is 219-253-5.
The DSSTox Substance ID of 1,6-Heptadiyne is DTXSID2062373.
Yes, 1,6-Heptadiyne is canonicalized.