3-methyl-1H-pyrazole-4,5-dione

Base Information

• Chemical Name: 3-methyl-1H-pyrazole-4,5-dione
• CAS No.: 52605-79-5
• Molecular Formula: C₄H₄N₂O₂
• Molecular Weight: 112.088
• DSSTox Substance ID: DTXSID30537233
• Wikidata: Q82412174
• Mol file: 52605-79-5.mol

Synonyms:3-methyl-1H-pyrazole-4,5-dione;52605-79-5;5-methyl-2H-pyrazole-3,4-quinone;SCHEMBL6731032;DTXSID30537233

Chemical Property of 3-methyl-1H-pyrazole-4,5-dione

Chemical Property:

• XLogP3: -0.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 112.027277375
• Heavy Atom Count: 8
• Complexity: 183

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=NNC(=O)C1=O