94061-80-0 Purity
96%
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The molecular formula of 4-Pentan-2-ylphenol is C11H16O.
The molecular weight of 4-Pentan-2-ylphenol is 164.24 g/mol.
The IUPAC name of 4-Pentan-2-ylphenol is 4-pentan-2-ylphenol.
The InChI key of 4-Pentan-2-ylphenol is JTHGIRIGZAGNOX-UHFFFAOYSA-N.
The canonical SMILES of 4-Pentan-2-ylphenol is CCCC(C)C1=CC=C(C=C1)O.
The CAS number of 4-Pentan-2-ylphenol is 94-06-4.
The XLogP3 value of 4-Pentan-2-ylphenol is 3.6.
4-Pentan-2-ylphenol has 3 rotatable bonds.
The topological polar surface area of 4-Pentan-2-ylphenol is 20.2 ?2.
Yes, 4-Pentan-2-ylphenol is a canonicalized compound.