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Specification
PubChem CID 44215.
The molecular formula is C8H7ClO4.
The molecular weight is 202.59 g/mol.
The synonyms are 62936-23-6, 3-CHLORO-4-HYDROXY-5-METHOXYBENZOIC ACID, 5-CHLOROVANILLIC ACID, Benzoic acid, 3-chloro-4-hydroxy-5-methoxy-, and MFCD00016531.
It was created on March 26, 2005.
It was last modified on November 25, 2023.
The IUPAC name is 3-chloro-4-hydroxy-5-methoxybenzoic acid.
The InChI is InChI=1S/C8H7ClO4/c1-13-6-3-4(8(11)12)2-5(9)7(6)10/h2-3,10H,1H3,(H,11,12).
The InChIKey is XBRYEHVBBMSSCG-UHFFFAOYSA-N.
The canonical SMILES is COC1=C(C(=CC(=C1)C(=O)O)Cl)O.