CAS
933674-93-2 Purity
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933674-93-2 Purity
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The molecular formula is C6H6N2O2.
The synonym is 5-METHYLPYRIMIDINE-4-CARBOXYLIC ACID.
The molecular weight is 138.12 g/mol.
It was created on October 30, 2011.
The IUPAC name is 5-methylpyrimidine-4-carboxylic acid.
The InChI code is InChI=1S/C6H6N2O2/c1-4-2-7-3-8-5(4)6(9)10/h2-3H,1H3,(H,9,10).
The Canonical SMILES is CC1=CN=CN=C1C(=O)O.
The CAS number is 933683-35-3.
The XLogP3-AA value is 0.4.
Yes, it is canonicalized.