CAS
99167-92-7 Purity
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99167-92-7 Purity
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Specification
The molecular formula is C10H14N2O2.
The molecular weight is 194.23 g/mol.
The IUPAC name is ethyl 2-ethyl-4-methylpyrimidine-5-carboxylate.
The InChI is InChI=1S/C10H14N2O2/c1-4-9-11-6-8(7(3)12-9)10(13)14-5-2/h6H,4-5H2,1-3H3
The InChIKey is OZQFDVQNFFHLEV-UHFFFAOYSA-N.
The Canonical SMILES is CCC1=NC=C(C(=N1)C)C(=O)OCC.
The XLogP3-AA value is 1.7.
There are 4 hydrogen bond acceptors.
The topological polar surface area is 52.1 Ų.
Yes, it is a canonicalized compound.