898792-38-6 Purity
96%
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Specification
The molecular formula is C15H20O5.
It was created on 2008-02-29 and modified on 2023-12-30.
The IUPAC Name is 7-(2,5-dimethoxyphenyl)-7-oxoheptanoic acid.
The InChI is InChI=1S/C15H20O5/c1-19-11-8-9-14(20-2)12(10-11)13(16)6-4-3-5-7-15(17)18.
The InChIKey is FRQRLTBKTLBNIE-UHFFFAOYSA-N.
The Canonical SMILES is COC1=CC(=C(C=C1)OC)C(=O)CCCCCC(=O)O.
The molecular weight is 280.32 g/mol.
It has 1 hydrogen bond donor count.
The topological polar surface area is 72.8 Ų.
Yes, the compound is canonicalized in PubChem.