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Specification
The molecular formula is C12H15N3O2.
The molecular weight is 233.27 g/mol.
The IUPAC name is 3-ethyl-4-(2-phenoxyethyl)-1H-1,2,4-triazol-5-one.
The InChI is InChI=1S/C12H15N3O2/c1-2-11-13-14-12(16)15(11)8-9-17-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H,14,16).
The InChIKey is STUGRPIYVZOYAH-UHFFFAOYSA-N.
The canonical SMILES is CCC1=NNC(=O)N1CCOC2=CC=CC=C2.
The CAS number is 95885-13-5.
The European Community (EC) number is 414-470-3.
The DSSTox Substance ID is DTXSID50275620.
Yes, 5-Ethyl-4-(2-phenoxyethyl)-1,2,4-triazol-3-one is a canonical compound.
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