3-(6-ethyl-1,3-benzodioxol-5-yl)propanoic acid

Systemtic Name: 3-(6-ethyl-1,3-benzodioxol-5-yl)propanoic acid Openeye Name: 3-(6-ethyl-1,3-benzodioxol-5-yl)propanoic acid CAS Name: 3-(6-ethyl-1,3-benzodioxol-5-yl)propanoic acid IUPAC Name: 3-(6-ethyl-1,3-benzodioxol-5-yl)propanoic acid Traditional Name: 3-(6-ethyl-1,3-benzodioxol-5-yl)propionic acid Formula: C12H14O4 MolecularWeight: 222.23716

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1CCC(=O)O)OCO2

Isomeric SMILES

CCC1=CC2=C(C=C1CCC(=O)O)OCO2

InChI

InChI=1S/C12H14O4/c1-2-8-5-10-11(16-7-15-10)6-9(8)3-4-12(13)14/h5-6H,2-4,7H2,1H3,(H,13,14)