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Specification
The molecular formula of 2-[(2-Methylbutanoyl)amino]benzoic acid is C12H15NO3.
The molecular weight of 2-[(2-Methylbutanoyl)amino]benzoic acid is 221.25 g/mol.
The IUPAC name of 2-[(2-Methylbutanoyl)amino]benzoic acid is 2-(2-methylbutanoylamino)benzoic acid.
The InChI of 2-[(2-Methylbutanoyl)amino]benzoic acid is InChI=1S/C12H15NO3/c1-3-8(2)11(14)13-10-7-5-4-6-9(10)12(15)16/h4-8H,3H2,1-2H3,(H,13,14)(H,15,16).
The InChIKey of 2-[(2-Methylbutanoyl)amino]benzoic acid is XZGSYONIZSNCTM-UHFFFAOYSA-N.
The canonical SMILES of 2-[(2-Methylbutanoyl)amino]benzoic acid is CCC(C)C(=O)NC1=CC=CC=C1C(=O)O.
The CAS number of 2-[(2-Methylbutanoyl)amino]benzoic acid is 713493-20-0.
The EC number of 2-[(2-Methylbutanoyl)amino]benzoic acid is 809-845-7.
Yes, 2-[(2-Methylbutanoyl)amino]benzoic acid is a canonicalized compound.