CAS
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Specification
The molecular formula is C8H9ClO2.
The molecular weight is 172.61 g/mol.
The IUPAC name is 1-chloro-2,4-dimethoxybenzene.
The InChI is InChI=1S/C8H9ClO2/c1-10-6-3-4-7(9)8(5-6)11-2/h3-5H,1-2H3.
The InChIKey is OACCRGFGCIQFNR-UHFFFAOYSA-N.
The canonical SMILES is COC1=CC(=C(C=C1)Cl)OC.
The CAS number is 7051-13-0.
The EC number is 674-047-6.
The Nikkaji Number is J275.712E.
Yes, 1-Chloro-2,4-dimethoxybenzene is a canonicalized compound.