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The molecular formula is C12H12N4O2.
The molecular weight is 244.25 g/mol.
The IUPAC name is 3-pyrimidin-2-yl-2-(pyrimidin-2-ylmethyl)propanoic acid.
The InChI is InChI=1S/C12H12N4O2/c17-12(18)9(7-10-13-3-1-4-14-10)8-11-15-5-2-6-16-11/h1-6,9H,7-8H2,(H,17,18).
The InChIKey is MXSGIVAJXIIMDJ-UHFFFAOYSA-N.
The canonical SMILES is C1=CN=C(N=C1)CC(CC2=NC=CC=N2)C(=O)O.
There is 1 hydrogen bond donor count.
There are 6 hydrogen bond acceptor counts.
The topological polar surface area is 88.9 Å2.
Yes, the compound is canonicalized.
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