3-(5-Methyl-2-oxobenzo[d]oxazol-3(2h)-yl)propanoic acid CAS 71977-76-9

Purity 97%+In StockPharmaceutical Standards
CAS No.71977-76-9
Molecular FormulaC11H11NO4
Molecular Weight221.21 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

3-(5-Methyl-2-oxobenzo[d]oxazol-3(2h)-yl)propanoic acid CAS 71977-76-9 chemical structure

Description

Compared with other compounds in its class, the molecular weight of 221.21 g/mol gives 3-(5-Methyl-2-oxobenzo[d]oxazol-3(2h)-yl)propanoic acid distinctive chromatographic separation conditions and mass-spectrometry parameter settings.

3-(5-Methyl-2-oxobenzo[d]oxazol-3(2h)-yl)propanoic acid (CAS 71977-76-9), molecular formula C11H11NO4 and molecular weight 221.21 g/mol, is a CATO reference standard with documented purity and traceability.

Based on its molecular formula C11H11NO4, 3-(5-Methyl-2-oxobenzo[d]oxazol-3(2h)-yl)propanoic acid contains an amino-acid-derived structure, an amide group, a hydroxyl group, an ether linkage; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 221.21 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. The presence of an aromatic ring or conjugated system gives the compound characteristic absorption bands in the UV-Vis region, making it well suited to UV or diode-array detection (DAD).

This reference standard is suitable for quantitative analysis on major chromatographic platforms including HPLC, GC, LC-MS/MS, and GC-MS, serving as an external calibration standard or a system suitability test reference material.

The assigned purity is verified by mass-balance and quantitative NMR (qNMR) approaches, with the expanded uncertainty reported at a 95% confidence level (k=2). Batch homogeneity and stability are independently assessed for every lot.

Physical & Chemical Properties

Molecular FormulaC11H11NO4
Molecular Weight221.21 g/mol
AppearanceOff-white to pale yellow crystalline powder
Purity97%+
StorageStore at 2-8°C, protect from light, keep sealed and dry
Solubility (reference)Soluble in methanol, ethanol, DMSO
StabilityMay oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Hygroscopic; reseal immediately after opening
Degree of Unsaturation (DBE)7.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1977
Nitrogen Atoms1

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