2-prop-1-ynyl-1,3-benzodioxole-5-carboxylic acid

Systemtic Name: 2-prop-1-ynyl-1,3-benzodioxole-5-carboxylic acid Openeye Name: 2-prop-1-ynyl-1,3-benzodioxole-5-carboxylic acid CAS Name: 2-prop-1-ynyl-1,3-benzodioxole-5-carboxylic acid IUPAC Name: 2-prop-1-ynyl-1,3-benzodioxole-5-carboxylic acid Traditional Name: 2-prop-1-ynyl-piperonylic acid Formula: C11H8O4 MolecularWeight: 204.17882

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Descriptors Computed from Structure

Canonical SMILES:

CC#CC1OC2=C(O1)C=C(C=C2)C(=O)O

Isomeric SMILES

CC#CC1OC2=C(O1)C=C(C=C2)C(=O)O

InChI

InChI=1S/C11H8O4/c1-2-3-10-14-8-5-4-7(11(12)13)6-9(8)15-10/h4-6,10H,1H3,(H,12,13)