95568-40-4 Purity
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Specification
The molecular formula of the compound is C11H14N2O2.
The synonym for the compound is ETHYL 5-METHYL-6,7-DIHYDRO-5H-CYCLOPENTA[B]PYRAZINE-2-CARBOXYLATE.
The molecular weight of the compound is 206.24 g/mol.
The IUPAC name of the compound is ethyl 7-methyl-6,7-dihydro-5H-cyclopenta[b]pyrazine-3-carboxylate.
The InChI of the compound is InChI=1S/C11H14N2O2/c1-3-15-11(14)9-6-12-10-7(2)4-5-8(10)13-9/h6-7H,3-5H2,1-2H3.
The InChIKey of the compound is LWOQHBPYXHSRGX-UHFFFAOYSA-N.
The canonical SMILES of the compound is CCOC(=O)C1=CN=C2C(CCC2=N1)C.
The CAS number of the compound is 95576-06-0.
The XLogP3-AA value of the compound is 1.4.
Yes, the compound is canonicalized.