5-methyl-1-propyl-1H-pyrazole-3-carboxylic acid

Base Information

• Chemical Name: 5-methyl-1-propyl-1H-pyrazole-3-carboxylic acid
• CAS No.: 956950-99-5
• Molecular Formula: C8H12N2O2
• Molecular Weight: 168.19
• DSSTox Substance ID: DTXSID601241217
• Mol file: 956950-99-5.mol

Synonyms:5-methyl-1-propyl-1H-pyrazole-3-carboxylic acid;956950-99-5;5-methyl-1-propylpyrazole-3-carboxylic acid;SCHEMBL10274471;DTXSID601241217;AMY33195;BBL031089;MFCD08700640;STK711187;AKOS003672568;VS-10231;CS-0207188;5-methyl-1-propyl-1H-pyrazole-3-carboxylicacid

Chemical Property of 5-methyl-1-propyl-1H-pyrazole-3-carboxylic acid

Chemical Property:

• XLogP3: 1.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 168.089877630
• Heavy Atom Count: 12
• Complexity: 172

Purity/Quality:

97% ^*data from raw suppliers

5-Methyl-1-propyl-1H-pyrazole-3-carboxylic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCCN1C(=CC(=N1)C(=O)O)C

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