Isoxazolo[4,5-b]pyridin-3(2H)-one

Base Information

• Chemical Name: Isoxazolo[4,5-b]pyridin-3(2H)-one
• CAS No.: 122019-40-3
• Molecular Formula: C6H4 N2 O2
• Molecular Weight: 136.10816
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID50595658
• Wikidata: Q82490721
• Mol file: 122019-40-3.mol

Synonyms:Isoxazolo[4,5-b]pyridin-3(2H)-one;122019-40-3;[1,2]oxazolo[4,5-b]pyridin-3-one;Isoxazolo[4,5-b]pyridin-3(2H)-one (9CI);[1,2]Oxazolo[4,5-b]pyridin-3(2H)-one;SCHEMBL6995339;SCHEMBL12432729;DTXSID50595658;AT37163;DB-297698

Chemical Property of Isoxazolo[4,5-b]pyridin-3(2H)-one

Chemical Property:

• PSA: 59.15000
• LogP: 0.92840
• Storage Temp.: 2-8°C
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 136.027277375
• Heavy Atom Count: 10
• Complexity: 160

Purity/Quality:

99.0%min ^*data from raw suppliers

Isoxazolo[4,5-b]pyridin-3(2H)-one 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C(C(=O)NO2)N=C1