5-(3,4,5-trimethoxyphenyl)-4H-pyrazole-3-carboxylic Acid

Base Information

• Chemical Name: 5-(3,4,5-trimethoxyphenyl)-4H-pyrazole-3-carboxylic Acid
• CAS No.: 904815-28-7
• Molecular Formula: C13H14N2O5
• Molecular Weight: 278.26
• Hs Code.: 2933199090
• DSSTox Substance ID: DTXSID20378076
• Wikidata: Q82167539
• Mol file: 904815-28-7.mol

Synonyms:5-(3,4,5-trimethoxyphenyl)-4H-pyrazole-3-carboxylic Acid;904815-28-7;KAINICACID;DTXSID20378076;MFCD06245448;AKOS005254840;5-(3,4,5-TRIMETHOXY-PHENYL)-4H-PYRAZOLE-3-CARBOXYLICACID

Chemical Property of 5-(3,4,5-trimethoxyphenyl)-4H-pyrazole-3-carboxylic Acid

Chemical Property:

• Vapor Pressure: 1.68E-11mmHg at 25°C
• Boiling Point: 516.7°C at 760 mmHg
• PKA: -1.74±0.40(Predicted)
• Flash Point: 266.3°C
• PSA: 93.67000
• Density: 1.32g/cm³
• LogP: 1.80070
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 5
• Exact Mass: 278.09027155
• Heavy Atom Count: 20
• Complexity: 421

Purity/Quality:

NLT 98% ^*data from raw suppliers

5-(3,4,5-TRIMETHOXYPHENYL)-1H-PYRAZOLE-3-CARBOXYLIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC(=CC(=C1OC)OC)C2=NN=C(C2)C(=O)O