3-(1,3-benzodioxol-5-yl)butanoic acid

Systemtic Name: 3-(1,3-benzodioxol-5-yl)butanoic acid Openeye Name: 3-(1,3-benzodioxol-5-yl)butanoic acid CAS Name: 3-(1,3-benzodioxol-5-yl)butanoic acid IUPAC Name: 3-(1,3-benzodioxol-5-yl)butanoic acid Traditional Name: 3-(1,3-benzodioxol-5-yl)butyric acid Formula: C11H12O4 MolecularWeight: 208.21058

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)O)C1=CC2=C(C=C1)OCO2

Isomeric SMILES

CC(CC(=O)O)C1=CC2=C(C=C1)OCO2

InChI

InChI=1S/C11H12O4/c1-7(4-11(12)13)8-2-3-9-10(5-8)15-6-14-9/h2-3,5,7H,4,6H2,1H3,(H,12,13)