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

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-2,2-dimethyl-propanoic acid Openeye Name: 3-(1,3-benzodioxol-5-yl)-2,2-dimethyl-propanoic acid CAS Name: 3-(1,3-benzodioxol-5-yl)-2,2-dimethylpropanoic acid IUPAC Name: 3-(1,3-benzodioxol-5-yl)-2,2-dimethylpropanoic acid Traditional Name: 3-(1,3-benzodioxol-5-yl)-2,2-dimethyl-propionic acid Formula: C12H14O4 MolecularWeight: 222.23716

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC1=CC2=C(C=C1)OCO2)C(=O)O

Isomeric SMILES

CC(C)(CC1=CC2=C(C=C1)OCO2)C(=O)O

InChI

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