3-Iodo-ε-oxobenzenehexanoic acid

CAS Registry Number®

898790-86-8
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CAS Name

3-Iodo-ε-oxobenzenehexanoic acid

Molecular Formula

C12H13IO3

Molecular Mass

332.13

Cite this Page

3-Iodo-ε-oxobenzenehexanoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=898790-86-8 (retrieved 2024-08-08) (CAS RN: 898790-86-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C12H13IO3/c13-10-5-3-4-9(8-10)11(14)6-1-2-7-12(15)16/h3-5,8H,1-2,6-7H2,(H,15,16)

InChIKey

InChIKey=WYUJKKRJIGVNEB-UHFFFAOYSA-N

SMILES

C(CCCCC(O)=O)(=O)C1=CC(I)=CC=C1

Canonical SMILES

O=C(O)CCCCC(=O)C=1C=CC=C(I)C1

Other Names for this Substance

  • Benzenehexanoic acid, 3-iodo-ε-oxo-
  • 3-Iodo-ε-oxobenzenehexanoic acid