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

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethoxy)butanoic acid Openeye Name: 3-(1,3-benzodioxol-5-ylmethoxy)butanoic acid CAS Name: 3-(1,3-benzodioxol-5-ylmethoxy)butanoic acid IUPAC Name: 3-(1,3-benzodioxol-5-ylmethoxy)butanoic acid Traditional Name: 3-piperonyloxybutyric acid Formula: C12H14O5 MolecularWeight: 238.23656

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)O)OCC1=CC2=C(C=C1)OCO2

Isomeric SMILES

CC(CC(=O)O)OCC1=CC2=C(C=C1)OCO2

InChI

InChI=1S/C12H14O5/c1-8(4-12(13)14)15-6-9-2-3-10-11(5-9)17-7-16-10/h2-3,5,8H,4,6-7H2,1H3,(H,13,14)