93893-85-7 Purity
96%
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Specification
The chemical formula of 3-Methyl-5-phenylpent-2-enenitrile is C12H13N.
The PubChem CID for 3-Methyl-5-phenylpent-2-enenitrile was created on March 27, 2005, and last modified on December 30, 2023.
The IUPAC name of 3-Methyl-5-phenylpent-2-enenitrile is (E)-3-methyl-5-phenylpent-2-enenitrile.
The molecular weight of 3-Methyl-5-phenylpent-2-enenitrile is 171.24 g/mol.
The CAS number for 3-Methyl-5-phenylpent-2-enenitrile is 53243-60-0.
There is 1 hydrogen bond acceptor present in 3-Methyl-5-phenylpent-2-enenitrile.
The topological polar surface area of 3-Methyl-5-phenylpent-2-enenitrile is 23.8 Ų.
There are 3 rotatable bonds in the structure of 3-Methyl-5-phenylpent-2-enenitrile.
There is 1 defined bond stereocenter present in 3-Methyl-5-phenylpent-2-enenitrile.
The XLogP3-AA value for 3-Methyl-5-phenylpent-2-enenitrile is 3.3.