Methyl 8-amino-4-oxo-4H-chromene-3-carboxylate

Base Information

• Chemical Name: Methyl 8-amino-4-oxo-4H-chromene-3-carboxylate
• CAS No.: 1253654-50-0
• Molecular Formula: C11H9NO4
• Molecular Weight: 219.19
• Hs Code.: 2922509090
• DSSTox Substance ID: DTXSID50696997
• Wikidata: Q82626803
• Mol file: 1253654-50-0.mol

Synonyms:1253654-50-0;METHYL 8-AMINO-4-OXO-4H-CHROMENE-3-CARBOXYLATE;methyl 8-amino-4-oxochromene-3-carboxylate;8-Amino-4-oxo-4H-chromene-3-carboxylic acid methyl ester;Methyl 8-amino-4-oxo-4H-1-benzopyran-3-carboxylate;Methyl8-amino-4-oxo-4H-chromene-3-carboxylate;DTXSID50696997

Chemical Property of Methyl 8-amino-4-oxo-4H-chromene-3-carboxylate

Chemical Property:

• Boiling Point: 387.5±42.0 °C(Predicted)
• PKA: 2.17±0.20(Predicted)
• PSA: 82.53000
• Density: 1.414±0.06 g/cm3(Predicted)
• LogP: 1.74300
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 219.05315777
• Heavy Atom Count: 16
• Complexity: 350

Purity/Quality:

98%min ^*data from raw suppliers

Methyl8-amino-4-oxo-4H-chromene-3-carboxylate 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C1=COC2=C(C1=O)C=CC=C2N