2-[4-(2-methylpropanoyl)phenyl]ethanoic acid

Systemtic Name: 2-[4-(2-methylpropanoyl)phenyl]ethanoic acid Openeye Name: 2-[4-(2-methylpropanoyl)phenyl]acetic acid CAS Name: 2-[4-(2-methyl-1-oxopropyl)phenyl]acetic acid IUPAC Name: 2-[4-(2-methylpropanoyl)phenyl]acetic acid Traditional Name: 2-(4-isobutyrylphenyl)acetic acid Formula: C12H14O3 MolecularWeight: 206.23776

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14O3/c1-8(2)12(15)10-5-3-9(4-6-10)7-11(13)14/h3-6,8H,7H2,1-2H3,(H,13,14)