CAS
72-55-9 Purity
>99.0%(GC)
72-55-9 Purity
>99.0%(GC)
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Specification
The molecular formula is C7H14.
The molecular weight is 98.19 g/mol.
The IUPAC name is 4,4-dimethylpent-1-ene.
The InChI is InChI=1S/C7H14/c1-5-6-7(2,3)4/h5H,1,6H2,2-4H3.
The InChIKey is KLCNJIQZXOQYTE-UHFFFAOYSA-N.
The canonical SMILES is CC(C)(C)CC=C.
The CAS number is 762-62-9.
The European Community (EC) number is 212-101-9.
The XLogP3-AA value is 3.1.
Yes, it is canonicalized according to PubChem.