3-(methoxycarbonyl)-1-(2-ethoxyethyl)-4-nitro-1H-pyrazole-5-carboxylic acid

Base Information

• Chemical Name: 3-(methoxycarbonyl)-1-(2-ethoxyethyl)-4-nitro-1H-pyrazole-5-carboxylic acid
• CAS No.: 792970-07-1
• Molecular Formula: C10H13N3O7
• Molecular Weight: 287.23
• DSSTox Substance ID: DTXSID10701950
• Wikidata: Q72471593
• Mol file: 792970-07-1.mol

Synonyms:792970-07-1;3-(methoxycarbonyl)-1-(2-ethoxyethyl)-4-nitro-1H-pyrazole-5-carboxylic acid;2-(2-ethoxyethyl)-5-methoxycarbonyl-4-nitropyrazole-3-carboxylic acid;1-(2-Ethoxyethyl)-3-(methoxycarbonyl)-4-nitro-1H-pyrazole-5-carboxylic acid;SCHEMBL332743;DTXSID10701950;LCMJCOHUPUWCGZ-UHFFFAOYSA-N;FT-0750123;A839643;4-Nitro-1-(2-ethoxyethyl)-1H-pyrazole-3,5-dicarboxylic acid 3-methyl ester

Chemical Property of 3-(methoxycarbonyl)-1-(2-ethoxyethyl)-4-nitro-1H-pyrazole-5-carboxylic acid

Chemical Property:

• Boiling Point: 477.1±45.0 °C(Predicted)
• PKA: 1.65±0.50(Predicted)
• PSA: 136.47000
• Density: 1.51
• LogP: 0.83580
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 7
• Exact Mass: 287.07534976
• Heavy Atom Count: 20
• Complexity: 384

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOCCN1C(=C(C(=N1)C(=O)OC)[N+](=O)[O-])C(=O)O