1068976-51-1 Purity
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Specification
The molecular formula is C7H7NO2.
The molecular weight is 137.14 g/mol.
The IUPAC name is 2-methylpyridine-3-carboxylic acid.
The InChI is InChI=1S/C7H7NO2/c1-5-6(7(9)10)3-2-4-8-5/h2-4H,1H3,(H,9,10).
The InChIKey is HNTZKNJGAFJMHQ-UHFFFAOYSA-N.
The canonical SMILES is CC1=C(C=CC=N1)C(=O)O.
The CAS number is 3222-56-8.
The European Community (EC) number is 628-913-5.
The DSSTox Substance ID is DTXSID30349156.
Yes, 2-Methylpyridine-3-carboxylic acid is the canonicalized compound according to PubChem.