Itaconic acid (C5H6O4)

Itaconic acid (C5H6O4; CAS 97-65-4) is a practical retrosynthesis target. Itaconic acid presents a C5 framework, a carboxylic acid, unsaturation. Open AI route search in one click below.

Target: Itaconic acid
CAS: 97-65-4
Formula: C5H6O4
Approx. MW: 130.10
SMILES: C=C(CC(=O)O)C(=O)O
PubChem CID: 811
Approx. carbons: C5

Itaconic acid structure

Properties

IUPAC name: 2-methylidenebutanedioic acid
Common names: Itaconic acid; 97-65-4; 2-Methylenesuccinic acid; 2-methylidenebutanedioic acid; METHYLENESUCCINIC ACID; Methylenebutanedioic acid; Propylenedicarboxylic acid; itaconate; Butanedioic acid, methylene-; 2-Propene-1,2-dicarboxylic acid
Molecular weight: 130.10
Exact mass: 130.03
InChIKey: LVHBHZANLOWSRM-UHFFFAOYSA-N
Melting point: 162-164 °C WITH DECOMP, ALSO REPORTED AS 172 °C
Boiling point: 268 °C, SUBLIMES
Density: 1.632

View on PubChem

Itaconic acid 1H / 13C NMR spectrum →

FAQ

What is the chemical formula of Itaconic acid?

Itaconic acid has molecular formula C5H6O4. Molecular weight about 130.10 g·mol⁻¹.

What is the CAS number of Itaconic acid?

The CAS Registry Number for Itaconic acid is 97-65-4.

Run AI retrosynthesis for Itaconic acid Target catalog AI tools overview

Start from this SMILES and explore AI retrosynthesis routes for C5H6O4.

Related targets

Similar compounds

2-Acetamidoacrylic acid 3-Pyrroline-2-carboxylic acid 4-Pentenoic Acid 2-(Bromomethyl)acrylic acid 2-(Trifluoromethyl)acrylic acid 2-Hexynoic acid

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References & tools

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