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The molecular formula is C10H10O2.
The IUPAC name is 1-ethynyl-3,5-dimethoxybenzene.
The InChI is InChI=1S/C10H10O2/c1-4-8-5-9(11-2)7-10(6-8)12-3/h1,5-7H,2-3H3.
The InChIKey is HUSBBWQIJMRKLI-UHFFFAOYSA-N.
The canonical SMILES is COC1=CC(=CC(=C1)C#C)OC.
The molecular weight is 162.18 g/mol.
The XLogP3-AA value is 2.1.
There are 0 hydrogen bond donor atoms.
There are 2 hydrogen bond acceptor atoms.
There are 3 rotatable bonds.
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