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The molecular formula of 3-(isobutyrylamino)-4-methylbenzoic acid is C12H15NO3.
The molecular weight of 3-(isobutyrylamino)-4-methylbenzoic acid is 221.25 g/mol.
The IUPAC name of 3-(isobutyrylamino)-4-methylbenzoic acid is 4-methyl-3-(2-methylpropanoylamino)benzoic acid.
The InChI of 3-(isobutyrylamino)-4-methylbenzoic acid is InChI=1S/C12H15NO3/c1-7(2)11(14)13-10-6-9(12(15)16)5-4-8(10)3/h4-7H,1-3H3,(H,13,14)(H,15,16).
The InChIKey of 3-(isobutyrylamino)-4-methylbenzoic acid is ITNJBNSCALFBTK-UHFFFAOYSA-N.
The canonical SMILES of 3-(isobutyrylamino)-4-methylbenzoic acid is CC1=C(C=C(C=C1)C(=O)O)NC(=O)C(C)C.
The CAS number of 3-(isobutyrylamino)-4-methylbenzoic acid is 915921-46-9.
The hydrogen bond donor count of 3-(isobutyrylamino)-4-methylbenzoic acid is 2.
The hydrogen bond acceptor count of 3-(isobutyrylamino)-4-methylbenzoic acid is 3.
Yes, 3-(isobutyrylamino)-4-methylbenzoic acid is a canonicalized compound.
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