3-(4-ethyl-1,3-benzodioxol-5-yl)propanoic acid

Systemtic Name: 3-(4-ethyl-1,3-benzodioxol-5-yl)propanoic acid Openeye Name: 3-(4-ethyl-1,3-benzodioxol-5-yl)propanoic acid CAS Name: 3-(4-ethyl-1,3-benzodioxol-5-yl)propanoic acid IUPAC Name: 3-(4-ethyl-1,3-benzodioxol-5-yl)propanoic acid Traditional Name: 3-(4-ethyl-1,3-benzodioxol-5-yl)propionic acid Formula: C12H14O4 MolecularWeight: 222.23716

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC2=C1OCO2)CCC(=O)O

Isomeric SMILES

CCC1=C(C=CC2=C1OCO2)CCC(=O)O

InChI

InChI=1S/C12H14O4/c1-2-9-8(4-6-11(13)14)3-5-10-12(9)16-7-15-10/h3,5H,2,4,6-7H2,1H3,(H,13,14)