3,5-Dimethylpyrazine-2-carboxylic acid

Base Information

• Chemical Name: 3,5-Dimethylpyrazine-2-carboxylic acid
• CAS No.: 946493-27-2
• Molecular Formula: C7H8N2O2
• Molecular Weight: 152.153
• DSSTox Substance ID: DTXSID40700239
• Nikkaji Number: J2.297.690G
• Wikidata: Q82631476
• Mol file: 946493-27-2.mol

Synonyms:3,5-Dimethylpyrazine-2-carboxylic acid;946493-27-2;3,5-Dimethylpyrazine-2-carboxylicacid;SCHEMBL7422568;DTXSID40700239;MFCD18070837;AKOS016001437;AB71826;CS-W021819;3,5-Dimethyl-2-pyrazinecarboxylic acid;DS-14647;FT-0735426;A859305

Chemical Property of 3,5-Dimethylpyrazine-2-carboxylic acid

Chemical Property:

• Boiling Point: 308.6±37.0 °C(Predicted)
• PKA: 3.79±0.10(Predicted)
• PSA: 63.08000
• Density: 1.257±0.06 g/cm3(Predicted)
• LogP: 0.79160
• Storage Temp.: 2-8°C
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 152.058577502
• Heavy Atom Count: 11
• Complexity: 161

Purity/Quality:

NLT 98% ^*data from raw suppliers

3,5-Dimethylpyrazine-2-carboxylicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CN=C(C(=N1)C)C(=O)O