3-[2-(2-methylpropanoyl)phenyl]propanoic acid

Systemtic Name: 3-[2-(2-methylpropanoyl)phenyl]propanoic acid Openeye Name: 3-[2-(2-methylpropanoyl)phenyl]propanoic acid CAS Name: 3-[2-(2-methyl-1-oxopropyl)phenyl]propanoic acid IUPAC Name: 3-[2-(2-methylpropanoyl)phenyl]propanoic acid Traditional Name: 3-(2-isobutyrylphenyl)propionic acid Formula: C13H16O3 MolecularWeight: 220.26434

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)C1=CC=CC=C1CCC(=O)O

Isomeric SMILES

CC(C)C(=O)C1=CC=CC=C1CCC(=O)O

InChI

InChI=1S/C13H16O3/c1-9(2)13(16)11-6-4-3-5-10(11)7-8-12(14)15/h3-6,9H,7-8H2,1-2H3,(H,14,15)