3-(3H-1,2-benzodioxol-5-yl)propanoic acid

Systemtic Name: 3-(3H-1,2-benzodioxol-5-yl)propanoic acid Openeye Name: 3-(3H-1,2-benzodioxol-5-yl)propanoic acid CAS Name: 3-(3H-1,2-benzodioxol-5-yl)propanoic acid IUPAC Name: 3-(3H-1,2-benzodioxol-5-yl)propanoic acid Traditional Name: 3-(3H-1,2-benzodioxol-5-yl)propionic acid Formula: C10H10O4 MolecularWeight: 194.184

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C=CC(=C2)CCC(=O)O)OO1

Isomeric SMILES

C1C2=C(C=CC(=C2)CCC(=O)O)OO1

InChI

InChI=1S/C10H10O4/c11-10(12)4-2-7-1-3-9-8(5-7)6-13-14-9/h1,3,5H,2,4,6H2,(H,11,12)