3-(6-chloranyl-1,3-benzodioxol-5-yl)propanoic acid

Systemtic Name: 3-(6-chloranyl-1,3-benzodioxol-5-yl)propanoic acid Openeye Name: 3-(6-chloro-1,3-benzodioxol-5-yl)propanoic acid CAS Name: 3-(6-chloro-1,3-benzodioxol-5-yl)propanoic acid IUPAC Name: 3-(6-chloro-1,3-benzodioxol-5-yl)propanoic acid Traditional Name: 3-(6-chloro-1,3-benzodioxol-5-yl)propionic acid Formula: C10H9ClO4 MolecularWeight: 228.62906

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)CCC(=O)O)Cl

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)CCC(=O)O)Cl

InChI

InChI=1S/C10H9ClO4/c11-7-4-9-8(14-5-15-9)3-6(7)1-2-10(12)13/h3-4H,1-2,5H2,(H,12,13)