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The molecular formula of the compound is C14H18O4.
The molecular weight of the compound is 250.29 g/mol.
The IUPAC name of the compound is 7-(3-methoxyphenyl)-7-oxoheptanoic acid.
The InChI of the compound is InChI=1S/C14H18O4/c1-18-12-7-5-6-11(10-12)13(15)8-3-2-4-9-14(16)17/h5-7,10H,2-4,8-9H2,1H3,(H,16,17).
The InChIKey of the compound is QAGAEXVSIVDMPT-UHFFFAOYSA-N.
The canonical SMILES of the compound is COC1=CC=CC(=C1)C(=O)CCCCCC(=O)O.
The CAS number of the compound is 898765-60-1.
The DSSTox Substance ID of the compound is DTXSID00645298.
The XLogP3 value of the compound is 2.5.
Yes, the compound is canonicalized.
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