Dimethyl oxalate (C4H6O4)

Dimethyl oxalate presents a C4 framework, an ester (formula C4H6O4, CAS 553-90-2). ChemicalTool Reaction can propose ranked disconnections for Dimethyl oxalate from the SMILES COC(=O)C(=O)OC.

Target: Dimethyl oxalate
CAS: 553-90-2
Formula: C4H6O4
Approx. MW: 118.09
SMILES: COC(=O)C(=O)OC
PubChem CID: 11120
Approx. carbons: C4

Dimethyl oxalate structure

Properties

IUPAC name: dimethyl oxalate
Common names: Dimethyl oxalate; 553-90-2; METHYL OXALATE; Oxalic acid dimethyl ester; Ethanedioic acid, dimethyl ester; IQ3Q79344S; NSC-9374; Ethanedioic acid, 1,2-dimethyl ester; DTXSID9060287; 209-053-6
Molecular weight: 118.09
Exact mass: 118.03
InChIKey: LOMVENUNSWAXEN-UHFFFAOYSA-N
Boiling point: 163.5 °C @760 [mm Hg]
Density: 1.148 @25 °C

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Dimethyl oxalate 1H / 13C NMR spectrum →

FAQ

What is the chemical formula of Dimethyl oxalate?

Dimethyl oxalate has molecular formula C4H6O4. Molecular weight about 118.09 g·mol⁻¹.

What is the CAS number of Dimethyl oxalate?

The CAS Registry Number for Dimethyl oxalate is 553-90-2.

Run AI retrosynthesis for Dimethyl oxalate Target catalog AI tools overview

Open the planner with Dimethyl oxalate preloaded, then keep routes that match CAS 553-90-2.

Related targets

Similar compounds

2-Hydroxyethyl acetate Chloroacetic anhydride Methyl 2-bromoacrylate Methyl Acrylate Methyl methoxyacetate 2-(Dimethylamino)ethyl acetate

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.