18719-24-9 Purity
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Specification
The molecular formula of the compound is C11H14O.
The molecular weight of the compound is 162.23 g/mol.
The IUPAC name of the compound is 1-(4-methylphenyl)but-3-en-1-ol.
The InChI of the compound is InChI=1S/C11H14O/c1-3-4-11(12)10-7-5-9(2)6-8-10/h3,5-8,11-12H,1,4H2,2H3.
The InChIKey of the compound is RCKGDEZXTBRGHR-UHFFFAOYSA-N.
The canonical SMILES of the compound is CC1=CC=C(C=C1)C(CC=C)O.
The CAS number of the compound is 24165-63-7.
The XLogP3-AA value of the compound is 2.5.
The compound has 1 hydrogen bond donor count.
The compound has 3 rotatable bond counts.