4-(1,3-benzodioxol-5-yl)-3-methyl-butanoic acid

Systemtic Name: 4-(1,3-benzodioxol-5-yl)-3-methyl-butanoic acid Openeye Name: 4-(1,3-benzodioxol-5-yl)-3-methyl-butanoic acid CAS Name: 4-(1,3-benzodioxol-5-yl)-3-methylbutanoic acid IUPAC Name: 4-(1,3-benzodioxol-5-yl)-3-methylbutanoic acid Traditional Name: 4-(1,3-benzodioxol-5-yl)-3-methyl-butyric acid Formula: C12H14O4 MolecularWeight: 222.23716

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14O4/c1-8(5-12(13)14)4-9-2-3-10-11(6-9)16-7-15-10/h2-3,6,8H,4-5,7H2,1H3,(H,13,14)