Acetrizoic acid (C9H6I3NO3)

Acetrizoic acid (C9H6I3NO3; CAS 85-36-9) is a practical retrosynthesis target. Acetrizoic acid presents a C9 framework, aromatic rings, a carboxylic acid. Open AI route search in one click below.

Target: Acetrizoic acid
CAS: 85-36-9
Formula: C9H6I3NO3
Approx. MW: 556.85
SMILES: CC(=O)Nc1c(I)cc(I)c(C(=O)O)c1I
PubChem CID: 6806
Approx. carbons: C9

Acetrizoic acid structure

Properties

IUPAC name: 3-acetamido-2,4,6-triiodobenzoic acid
Common names: Acetrizoic acid; 85-36-9; Urokonic acid; Acetrizoate; 3-(Acetylamino)-2,4,6-triiodobenzoic acid; Benzoic acid, 3-(acetylamino)-2,4,6-triiodo-; DTXSID2022549; 3-acetamido-2,4,6-triiodo-benzoic acid; NSC-758681; 24256BQV7M
Molecular weight: 556.86
Exact mass: 556.75
InChIKey: GNOGSFBXBWBTIG-UHFFFAOYSA-N

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Acetrizoic acid 1H / 13C NMR spectrum →

FAQ

What is the chemical formula of Acetrizoic acid?

Acetrizoic acid has molecular formula C9H6I3NO3. Molecular weight about 556.85 g·mol⁻¹.

What is the CAS number of Acetrizoic acid?

The CAS Registry Number for Acetrizoic acid is 85-36-9.

Run AI retrosynthesis for Acetrizoic acid Target catalog AI tools overview

Start from this SMILES and explore AI retrosynthesis routes for C9H6I3NO3.

Related targets

Similar compounds

4-Aminohippuric acid 3-Methylhippuric acid N-Acetyl-DL-phenylalanine (+-)-Pantothenic acid [3-(trifluoromethyl)phenyl]acetic acid 2-(2-Chlorophenoxy)propanoic acid

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References & tools

ChemicalTool Reaction — AI retrosynthesis with optional library evidence.
PubChem — compound identifiers and structure depictions (NIH/NCBI).
Related: AiZynthFinder / synthesis planning literature for computer-aided retrosynthesis.