Isophthalic acid (C8H6O4)

Isophthalic Acid presents a C8 framework, aromatic rings, a carboxylic acid (formula C8H6O4, CAS 121-91-5). ChemicalTool Reaction can propose ranked disconnections for Isophthalic Acid from the SMILES O=C(O)c1cccc(C(=O)O)c1.

Target: Isophthalic acid
CAS: 121-91-5
Formula: C8H6O4
Approx. MW: 166.13
SMILES: O=C(O)c1cccc(C(=O)O)c1
PubChem CID: 8496
Approx. carbons: C8

Isophthalic acid structure

Properties

Molecular weight: 166.13

View on PubChem

Isophthalic acid 1H / 13C NMR spectrum →

FAQ

What is the chemical formula of Isophthalic acid?

Isophthalic acid has molecular formula C8H6O4. Molecular weight about 166.13 g·mol⁻¹.

What is the CAS number of Isophthalic acid?

The CAS Registry Number for Isophthalic acid is 121-91-5.

Run AI retrosynthesis for Isophthalic acid Target catalog AI tools overview

Open the planner with Isophthalic acid preloaded, then keep routes that match CAS 121-91-5.

Related targets

Similar compounds

3-Formylsalicylic acid 5-Formylsalicylic acid phthalic acid Piperonylic Acid 2-(4-Fluorophenyl)acetic acid 2-amino-2-(4-hydroxyphenyl)acetic acid

Browse the full target catalog

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.