3H-Pyrazole-3,4-dicarboxylic acid, 4,5-dihydro-, dimethyl ester

Base Information

• Chemical Name: 3H-Pyrazole-3,4-dicarboxylic acid, 4,5-dihydro-, dimethyl ester
• CAS No.: 126416-42-0
• Molecular Formula: C₇H₁₀N₂O₄
• Molecular Weight: 186.167
• NSC Number: 142676
• DSSTox Substance ID: DTXSID90301376
• Mol file: 126416-42-0.mol

Synonyms:126416-42-0;3H-Pyrazole-3,4-dicarboxylic acid, 4,5-dihydro-, dimethyl ester;NSC142676;DTXSID90301376;NSC-142676

Chemical Property of 3H-Pyrazole-3,4-dicarboxylic acid, 4,5-dihydro-, dimethyl ester

Chemical Property:

• XLogP3: 0
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 186.06405680
• Heavy Atom Count: 13
• Complexity: 251

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C1CN=NC1C(=O)OC