2-(1,3-benzodioxol-5-yl)ethanoic acid

Systemtic Name: 2-(1,3-benzodioxol-5-yl)ethanoic acid Openeye Name: 2-(1,3-benzodioxol-5-yl)acetic acid CAS Name: 2-(1,3-benzodioxol-5-yl)acetic acid IUPAC Name: 2-(1,3-benzodioxol-5-yl)acetic acid Traditional Name: homopiperonylic acid Formula: C9H8O4 MolecularWeight: 180.15742

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CC(=O)O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CC(=O)O

InChI

InChI=1S/C9H8O4/c10-9(11)4-6-1-2-7-8(3-6)13-5-12-7/h1-3H,4-5H2,(H,10,11)