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The molecular formula of 3-Chloro-3-methyl-1-butyne is C5H7Cl.
The molecular weight of 3-Chloro-3-methyl-1-butyne is 102.56 g/mol.
The IUPAC name of 3-Chloro-3-methyl-1-butyne is 3-chloro-3-methylbut-1-yne.
The InChI of 3-Chloro-3-methyl-1-butyne is InChI=1S/C5H7Cl/c1-4-5(2,3)6/h1H,2-3H3.
The InChIKey of 3-Chloro-3-methyl-1-butyne is QSILYWCNPOLKPN-UHFFFAOYSA-N.
The canonical SMILES of 3-Chloro-3-methyl-1-butyne is CC(C)(C#C)Cl.
The CAS number of 3-Chloro-3-methyl-1-butyne is 1111-97-3.
The European Community (EC) number of 3-Chloro-3-methyl-1-butyne is 214-188-9.
The DSSTox Substance ID of 3-Chloro-3-methyl-1-butyne is DTXSID2061488.
Yes, 3-Chloro-3-methyl-1-butyne is a canonicalized compound.
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