5-(1,3-benzodioxol-5-yl)pentanoic acid

Systemtic Name: 5-(1,3-benzodioxol-5-yl)pentanoic acid Openeye Name: 5-(1,3-benzodioxol-5-yl)pentanoic acid CAS Name: 5-(1,3-benzodioxol-5-yl)pentanoic acid IUPAC Name: 5-(1,3-benzodioxol-5-yl)pentanoic acid Traditional Name: 5-(1,3-benzodioxol-5-yl)valeric acid Formula: C12H14O4 MolecularWeight: 222.23716

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14O4/c13-12(14)4-2-1-3-9-5-6-10-11(7-9)16-8-15-10/h5-7H,1-4,8H2,(H,13,14)