4-propanoylphthalic acid

Systemtic Name: 4-propanoylphthalic acid Openeye Name: 4-propanoylphthalic acid CAS Name: 4-(1-oxopropyl)phthalic acid IUPAC Name: 4-propanoylphthalic acid Traditional Name: 4-propionylphthalic acid Formula: C11H10O5 MolecularWeight: 222.1941

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H10O5/c1-2-9(12)6-3-4-7(10(13)14)8(5-6)11(15)16/h3-5H,2H2,1H3,(H,13,14)(H,15,16)