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

Systemtic Name: 3-(6-propyl-1,3-benzodioxol-5-yl)propanoic acid Openeye Name: 3-(6-propyl-1,3-benzodioxol-5-yl)propanoic acid CAS Name: 3-(6-propyl-1,3-benzodioxol-5-yl)propanoic acid IUPAC Name: 3-(6-propyl-1,3-benzodioxol-5-yl)propanoic acid Traditional Name: 3-(6-propyl-1,3-benzodioxol-5-yl)propionic acid Formula: C13H16O4 MolecularWeight: 236.26374

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC2=C(C=C1CCC(=O)O)OCO2

Isomeric SMILES

CCCC1=CC2=C(C=C1CCC(=O)O)OCO2

InChI

InChI=1S/C13H16O4/c1-2-3-9-6-11-12(17-8-16-11)7-10(9)4-5-13(14)15/h6-7H,2-5,8H2,1H3,(H,14,15)