19501-58-7 Purity
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Specification
The IUPAC name of the compound is 2-[3,5-bis(2-hydroxypropan-2-yl)phenyl]propan-2-ol.
The InChI of the compound is InChI=1S/C15H24O3/c1-13(2,16)10-7-11(14(3,4)17)9-12(8-10)15(5,6)18/h7-9,16-18H,1-6H3.
The InChIKey of the compound is FMCWGKXGRNQNLD-UHFFFAOYSA-N.
The canonical SMILES of the compound is CC(C)(C1=CC(=CC(=C1)C(C)(C)O)C(C)(C)O)O.
The molecular weight of the compound is 252.35 g/mol.
The CAS number of the compound is 19576-38-6.
The European Community (EC) number of the compound is 243-166-1.
The compound has 3 hydrogen bond donor count.
The compound has 3 hydrogen bond acceptor count.
The compound has 3 rotatable bond count.