CAS
89501-90-6 Purity
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89501-90-6 Purity
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Specification
The molecular formula is C10H13ClO.
The molecular weight is 184.66 g/mol.
The IUPAC name is 4-chloro-5-methyl-2-propan-2-ylphenol.
The InChI is InChI=1S/C10H13ClO/c1-6(2)8-5-9(11)7(3)4-10(8)12/h4-6,12H,1-3H3.
The InChIKey is KFZXVMNBUMVKLN-UHFFFAOYSA-N.
The canonical SMILES is CC1=CC(=C(C=C1Cl)C(C)C)O.
The CAS number is 89-68-9.
The EC number is 201-930-1.
The ChEMBL ID is CHEMBL1441646.