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Specification
The molecular formula is C12H14O5.
The synonyms include 38210-84-3, (2-ACETYL-4,5-DIMETHOXYPHENYL)ACETIC ACID, 2-(2-acetyl-4,5-dimethoxyphenyl)acetic acid, AKOS AU36-M266, and MLS000108181.
The molecular weight is 238.24 g/mol.
It was created on July 9, 2005.
It was last modified on November 25, 2023.
The IUPAC name is 2-(2-acetyl-4,5-dimethoxyphenyl)acetic acid.
The InChI is InChI=1S/C12H14O5/c1-7(13)9-6-11(17-3)10(16-2)4-8(9)5-12(14)15/h4,6H,5H2,1-3H3,(H,14,15).
The InChIKey is JRDKNLFTQJPDDA-UHFFFAOYSA-N.
The canonical SMILES is CC(=O)C1=CC(=C(C=C1CC(=O)O)OC)OC.
The XLogP3-AA value is 1.