96152-48-6 Purity
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Specification
The molecular formula of the compound is C11H15NO2.
The molecular weight of the compound is 193.24 g/mol.
The IUPAC name of the compound is 1,2-dimethyl-5-nitro-3-propan-2-ylbenzene.
The InChI of the compound is InChI=1S/C11H15NO2/c1-7(2)11-6-10(12(13)14)5-8(3)9(11)4/h5-7H,1-4H3.
The InChIKey of the compound is LWXYRCYAGNMAMJ-UHFFFAOYSA-N.
The canonical SMILES of the compound is CC1=CC(=CC(=C1C)C(C)C)[N+](=O)[O-].
The CAS number of the compound is 96155-98-5.
The XLogP3-AA value of the compound is 3.6.
The compound does not have any hydrogen bond donors.
The compound has two hydrogen bond acceptors.