951021-03-7 Purity
96%
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The molecular formula is C8H9NO2.
The synonyms are 951030-57-2, 2,5-DIMETHYLISONICOTINIC ACID, 2,5-DIMETHYLPYRIDINE-4-CARBOXYLIC ACID, and 2,5-dimethyl-4-pyridinecarboxylic acid.
The molecular weight is 151.16 g/mol.
The IUPAC name is 2,5-dimethylpyridine-4-carboxylic acid.
The InChI is InChI=1S/C8H9NO2/c1-5-4-9-6(2)3-7(5)8(10)11/h3-4H,1-2H3,(H,10,11).
The InChIKey is CADZSRNNJKOKIR-UHFFFAOYSA-N.
The canonical SMILES is CC1=CC(=C(C=N1)C)C(=O)O.
The XLogP3-AA value is 1.1.
There is 1 hydrogen bond donor atom.
There is 1 rotatable bond.