936841-72-4 Purity
98%
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The molecular formula of the compound is C11H13NO2.
The molecular weight of the compound is 191.23 g/mol.
The IUPAC name of the compound is N-(2-methylphenyl)-3-oxobutanamide.
The InChI of the compound is InChI=1S/C11H13NO2/c1-8-5-3-4-6-10(8)12-11(14)7-9(2)13/h3-6H,7H2,1-2H3,(H,12,14).
The InChIKey of the compound is TVZIWRMELPWPPR-UHFFFAOYSA-N.
The Canonical SMILES of the compound is CC1=CC=CC=C1NC(=O)CC(=O)C.
The CAS number of the compound is 93-68-5.
The European Community (EC) number of the compound is 202-267-0.
The ChEMBL ID of the compound is CHEMBL1893178.
The XLogP3 value of the compound is 1.3.