935460-27-8 Purity
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Specification
The molecular formula of the compound is C13H17NO2.
The molecular weight of the compound is 219.28 g/mol.
The IUPAC name of the compound is 1-[3-(1,4-dioxan-2-yl)phenyl]cyclopropan-1-amine.
The InChIKey of the compound is PSMQNLQRQYXXMY-UHFFFAOYSA-N.
The canonical SMILES of the compound is C1CC1(C2=CC=CC(=C2)C3COCCO3)N.
The XLogP3-AA value of the compound is 0.4.
The compound has 1 hydrogen bond donor count.
The compound has 3 hydrogen bond acceptor counts.
The compound has 2 rotatable bond counts.
Yes, the compound is canonicalized.