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Specification
The molecular formula of 3,4-Dimethyl-1-pentyn-3-ol is C7H12O.
The molecular weight of 3,4-Dimethyl-1-pentyn-3-ol is 112.17 g/mol.
The IUPAC name of 3,4-Dimethyl-1-pentyn-3-ol is 3,4-dimethylpent-1-yn-3-ol.
The InChI of 3,4-Dimethyl-1-pentyn-3-ol is InChI=1S/C7H12O/c1-5-7(4,8)6(2)3/h1,6,8H,2-4H3.
The InChIKey of 3,4-Dimethyl-1-pentyn-3-ol is DZNLEQBXXLGELU-UHFFFAOYSA-N.
The canonical SMILES of 3,4-Dimethyl-1-pentyn-3-ol is CC(C)C(C)(C#C)O.
The CAS number of 3,4-Dimethyl-1-pentyn-3-ol is 1482-15-1.
The EC number of 3,4-Dimethyl-1-pentyn-3-ol is 679-727-6.
The UNII of 3,4-Dimethyl-1-pentyn-3-ol is 4HME360EIQ.
Yes, 3,4-Dimethyl-1-pentyn-3-ol is a canonicalized compound.