5-(Benzoyloxy)-1-methyl-1H-pyrazole-3-carboxylic acid

Base Information

• Chemical Name: 5-(Benzoyloxy)-1-methyl-1H-pyrazole-3-carboxylic acid
• CAS No.: 131190-71-1
• Molecular Formula: C12H10N2O4
• Molecular Weight: 246.22
• DSSTox Substance ID: DTXSID90701594
• Nikkaji Number: J364.803F
• Wikidata: Q82633326
• Mol file: 131190-71-1.mol

Synonyms:131190-71-1;5-benzoyloxy-1-methylpyrazole-3-carboxylic acid;DTXSID90701594;5-Benzoyloxy-1-methyl-1H-pyrazole-3-carboxylic acid;5-(Benzoyloxy)-1-methyl-1H-pyrazole-3-carboxylic acid

Chemical Property of 5-(Benzoyloxy)-1-methyl-1H-pyrazole-3-carboxylic acid

Chemical Property:

• PSA: 81.42000
• LogP: 1.33750
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 246.06405680
• Heavy Atom Count: 18
• Complexity: 328

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C(=CC(=N1)C(=O)O)OC(=O)C2=CC=CC=C2