2-[2-(Cyanomethylidene)hydrazinyl]benzoic acid

Base Information

• Chemical Name: 2-[2-(Cyanomethylidene)hydrazinyl]benzoic acid
• CAS No.: 80773-37-1
• Molecular Formula: C9H7 N3 O2
• Molecular Weight: 189.17078
• DSSTox Substance ID: DTXSID30698419
• Mol file: 80773-37-1.mol

Synonyms:80773-37-1;2-[2-(cyanomethylidene)hydrazinyl]benzoic acid;DTXSID30698419;Benzoic acid,2-[(cyanomethylene)hydrazino]-(9ci)

Chemical Property of 2-[2-(Cyanomethylidene)hydrazinyl]benzoic acid

Chemical Property:

• Boiling Point: 363.4±44.0 °C(Predicted)
• PKA: 3.49±0.36(Predicted)
• PSA: 85.48000
• Density: 1.26±0.1 g/cm3(Predicted)
• LogP: 1.37908
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 189.053826475
• Heavy Atom Count: 14
• Complexity: 279

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C(=C1)C(=O)O)NN=CC#N

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