(±)-Iopanoic acid

CAS Registry Number®

96-83-3
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CAS Name

(±)-Iopanoic acid

Molecular Formula

C11H12I3NO2

Molecular Mass

570.93

Cite this Page

(±)-Iopanoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=17879-93-5 (retrieved 2024-04-24) (CAS RN: 96-83-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    155.2 °C

Source(s)

  • (1) PhysProp data were obtained from Syracuse Research Corporation of Syracuse, New York (US)

Other Names and Identifiers

InChI

InChI=1S/C11H12I3NO2/c1-2-5(11(16)17)3-6-7(12)4-8(13)10(15)9(6)14/h4-5H,2-3,15H2,1H3,(H,16,17)

InChIKey

InChIKey=OIRFJRBSRORBCM-UHFFFAOYSA-N

SMILES

C(C(C(O)=O)CC)C1=C(I)C(N)=C(I)C=C1I

Canonical SMILES

O=C(O)C(CC=1C(I)=CC(I)=C(N)C1I)CC

Other Names for this Substance

  • Benzenepropanoic acid, 3-amino-α-ethyl-2,4,6-triiodo-
  • Hydrocinnamic acid, 3-amino-α-ethyl-2,4,6-triiodo-
  • 3-Amino-α-ethyl-2,4,6-triiodobenzenepropanoic acid
  • 3-Amino-α-ethyl-2,4,6-triiodohydrocinnamic acid
  • 2-(3-Amino-2,4,6-triiodobenzyl)butyric acid

Deleted or Replaced CAS Registry Numbers

17879-93-5

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