2-(3-methylphenyl)carbonylbutanoic acid

Systemtic Name: 2-(3-methylphenyl)carbonylbutanoic acid Openeye Name: 2-(3-methylbenzoyl)butanoic acid CAS Name: 2-[(3-methylphenyl)-oxomethyl]butanoic acid IUPAC Name: 2-(3-methylbenzoyl)butanoic acid Traditional Name: 2-m-toluoylbutyric acid Formula: C12H14O3 MolecularWeight: 206.23776

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14O3/c1-3-10(12(14)15)11(13)9-6-4-5-8(2)7-9/h4-7,10H,3H2,1-2H3,(H,14,15)