Acetyloxymethyl 2-oxochromene-3-carboxylate

Base Information

• Chemical Name: Acetyloxymethyl 2-oxochromene-3-carboxylate
• CAS No.: 196091-77-7
• Molecular Formula: C13H10O6
• Molecular Weight: 262.216
• DSSTox Substance ID: DTXSID70399791
• Mol file: 196091-77-7.mol

Synonyms:Acetyloxymethyl 2-oxochromene-3-carboxylate;196091-77-7;Coumarin-3-carboxylic acid acetoxymethyl ester;Acetoxymethyl 2-oxo-2H-chromene-3-carboxylate;SCHEMBL4696386;COUMARIN-3-CARBOXYLIC ACID-(ACETOXYMETHYL) ESTER;DTXSID70399791;Coumarin-3-carboxylic acid-(acetoxymethyl)ester;(2-oxo-2H-chromene-3-carbonyloxy)methyl acetate;J-100050

Chemical Property of Acetyloxymethyl 2-oxochromene-3-carboxylate

Chemical Property:

• PSA: 82.81000
• LogP: 1.47040
• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 262.04773803
• Heavy Atom Count: 19
• Complexity: 425

Purity/Quality:

95% ^*data from raw suppliers

COUMARIN-3-CARBOXYLIC ACID(ACETOXYMETHYL) ESTER 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)OCOC(=O)C1=CC2=CC=CC=C2OC1=O
• Uses: Reagent for the intracellular detection of hydroxyl radicals (formation of 7-hydroxy derivative).