CAS
105-31-7 Purity
N/A
105-31-7 Purity
N/A
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Specification
The molecular formula of 2-Heptyne is C7H12.
The molecular weight of 2-Heptyne is 96.17 g/mol.
The IUPAC name of 2-Heptyne is hept-2-yne.
The InChI of 2-Heptyne is InChI=1S/C7H12/c1-3-5-7-6-4-2/h3,5,7H2,1-2H3.
The InChIKey of 2-Heptyne is AMSFEMSYKQQCHL-UHFFFAOYSA-N.
The canonical SMILES of 2-Heptyne is CCCCC#CC.
The CAS number of 2-Heptyne is 1119-65-9.
The EC number of 2-Heptyne is 214-285-6.
The DSSTox Substance ID of 2-Heptyne is DTXSID90149770.
Yes, 2-Heptyne is a canonicalized compound.