3-(3,3-dimethyl-2H-1-benzofuran-7-yl)propanoic acid

Systemtic Name: 3-(3,3-dimethyl-2H-1-benzofuran-7-yl)propanoic acid Openeye Name: 3-(3,3-dimethyl-2H-benzofuran-7-yl)propanoic acid CAS Name: 3-(3,3-dimethyl-2H-benzofuran-7-yl)propanoic acid IUPAC Name: 3-(3,3-dimethyl-2H-1-benzofuran-7-yl)propanoic acid Traditional Name: 3-(3,3-dimethylcoumaran-7-yl)propionic acid Formula: C13H16O3 MolecularWeight: 220.26434

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Descriptors Computed from Structure

Canonical SMILES:

CC1(COC2=C1C=CC=C2CCC(=O)O)C

Isomeric SMILES

CC1(COC2=C1C=CC=C2CCC(=O)O)C

InChI

InChI=1S/C13H16O3/c1-13(2)8-16-12-9(6-7-11(14)15)4-3-5-10(12)13/h3-5H,6-8H2,1-2H3,(H,14,15)