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Specification
The molecular formula of 5-Carboxyvanillin is C9H8O5.
The molecular weight of 5-Carboxyvanillin is 196.16 g/mol.
The IUPAC name of 5-Carboxyvanillin is 5-formyl-2-hydroxy-3-methoxybenzoic acid.
The InChI of 5-Carboxyvanillin is InChI=1S/C9H8O5/c1-14-7-3-5(4-10)2-6(8(7)11)9(12)13/h2-4,11H,1H3,(H,12,13).
The InChIKey of 5-Carboxyvanillin is YFDQSVBNFNFXGF-UHFFFAOYSA-N.
The canonical SMILES of 5-Carboxyvanillin is COC1=CC(=CC(=C1O)C(=O)O).
The CAS number of 5-Carboxyvanillin is 3507-08-2.
The European Community (EC) number of 5-Carboxyvanillin is 222-504-1.
The UNII of 5-Carboxyvanillin is HAB6WAR3X5.
Yes, 5-Carboxyvanillin is a canonicalized compound.