4-Iodo-ε-oxobenzenehexanoic acid

CAS Registry Number®

854658-73-4
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CAS Name

4-Iodo-ε-oxobenzenehexanoic acid

Molecular Formula

C12H13IO3

Molecular Mass

332.13

Cite this Page

4-Iodo-ε-oxobenzenehexanoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=854658-73-4 (retrieved 2024-08-07) (CAS RN: 854658-73-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    154-156 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C12H13IO3/c13-10-7-5-9(6-8-10)11(14)3-1-2-4-12(15)16/h5-8H,1-4H2,(H,15,16)

InChIKey

InChIKey=XQGYDLUMTFGDSY-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • Benzenehexanoic acid, 4-iodo-ε-oxo-
  • Valeric acid, δ-(p-iodobenzoyl)-
  • 4-Iodo-ε-oxobenzenehexanoic acid