ethyl 3-oxo-3H-pyrazole-5-carboxylate

Base Information

• Chemical Name: ethyl 3-oxo-3H-pyrazole-5-carboxylate
• CAS No.: 408334-03-2
• Molecular Formula: C6H6N2O3
• Molecular Weight: 0
• DSSTox Substance ID: DTXSID20600662
• Wikidata: Q82496850
• Mol file: 408334-03-2.mol

Synonyms:ethyl 3-oxo-3H-pyrazole-5-carboxylate;408334-03-2;3-ethoxycarbonylpyrazol-5-one;SCHEMBL692384;3-(carboethoxy)-pyrazol-5-one;DTXSID20600662;ILNOSUPSMMAKNS-UHFFFAOYSA-N

Chemical Property of ethyl 3-oxo-3H-pyrazole-5-carboxylate

Chemical Property:

• PSA: 68.09000
• LogP: -0.70300
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 154.03784206
• Heavy Atom Count: 11
• Complexity: 255

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1=CC(=O)N=N1