95395-48-5 Purity
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Specification
The molecular formula of the compound is C9H15NO2.
Some synonyms of the compound are 95406-70-5, 5-(tert-Butyl)-3-methoxy-4-methylisoxazole, and ISOXAZOLE, 5-(1,1-DIMETHYLETHYL)-3-METHOXY-4-METHYL- (9CI).
The molecular weight of the compound is 169.22 g/mol.
The IUPAC name of the compound is 5-tert-butyl-3-methoxy-4-methyl-1,2-oxazole.
The InChI of the compound is InChI=1S/C9H15NO2/c1-6-7(9(2,3)4)12-10-8(6)11-5/h1-5H3.
The InChIKey of the compound is IXDLHHCPSWDHFI-UHFFFAOYSA-N.
The canonical SMILES of the compound is CC1=C(ON=C1OC)C(C)(C)C.
The XLogP3-AA value of the compound is 2.7.
The compound has 3 hydrogen bond acceptor count.
Yes, the compound is canonicalized.