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The molecular formula of the compound is C14H18O5.
The molecular weight of the compound is 266.29 g/mol.
The IUPAC name of the compound is 6-(2,3-dimethoxyphenyl)-6-oxohexanoic acid.
The InChI of the compound is InChI=1S/C14H18O5/c1-18-12-8-5-6-10(14(12)19-2)11(15)7-3-4-9-13(16)17/h5-6,8H,3-4,7,9H2,1-2H3,(H,16,17).
The InChIKey of the compound is SUXHKLKUXVORJA-UHFFFAOYSA-N.
The Canonical SMILES of the compound is COC1=CC=CC(=C1OC)C(=O)CCCCC(=O)O.
The CAS number of the compound is 898792-31-9.
The compound has 1 hydrogen bond donor count.
The topological polar surface area of the compound is 72.8 Å2.
Yes, the compound is canonicalized.
898792-28-4
898792-29-5
898792-30-8
898792-32-0
898792-33-1
898792-34-2
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