1646-87-3 Purity
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Specification
The molecular formula of the compound is C9H14O.
The molecular weight of the compound is 138.21 g/mol.
The IUPAC name of the compound is 1-(cyclohexen-1-yl)propan-1-one.
The InChI of the compound is InChI=1S/C9H14O/c1-2-9(10)8-6-4-3-5-7-8/h6H,2-5,7H2,1H3.
The InChIKey of the compound is UZKJRXTYIKFJQV-UHFFFAOYSA-N.
The canonical SMILES of the compound is CCC(=O)C1=CCCCC1.
The CAS number of the compound is 1655-03-4.
The XLogP3-AA value of the compound is 2.3.
The compound has 0 hydrogen bond donor count.
The compound has 2 rotatable bond count.