19741-14-1 Purity
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Specification
The molecular formula is C11H12ClNO3.
The molecular weight is 241.67 g/mol.
The IUPAC name is 3-acetamido-3-(4-chlorophenyl)propanoic acid.
The InChI is InChI=1S/C11H12ClNO3/c1-7(14)13-10(6-11(15)16)8-2-4-9(12)5-3-8/h2-5,10H,6H2,1H3,(H,13,14)(H,15,16).
The InChIKey is MHJFYCQGHIHUSB-UHFFFAOYSA-N.
The Canonical SMILES is CC(=O)NC(CC(=O)O)C1=CC=C(C=C1)Cl.
The CAS number is 197785-38-9.
The EC Number is 863-222-4.
N-Acetyl-2-(4-chlorophenyl)-dl-beta-alanine has 2 hydrogen bond donor counts.
Yes, N-Acetyl-2-(4-chlorophenyl)-dl-beta-alanine is a canonicalized compound.