1-Cyano-2,2,3-trimethylcyclopropane-1-carboxylic acid

Base Information

• Chemical Name: 1-Cyano-2,2,3-trimethylcyclopropane-1-carboxylic acid
• CAS No.: 259823-88-6
• Molecular Formula: C8H11 N O2
• Molecular Weight: 153.17844
• DSSTox Substance ID: DTXSID50593730
• Mol file: 259823-88-6.mol

Synonyms:259823-88-6;1-Cyano-2,2,3-trimethylcyclopropane-1-carboxylic acid;SCHEMBL7597206;DTXSID50593730;DB-286702;CYCLOPROPANECARBOXYLIC ACID, 1-CYANO-2,2,3-TRIMETHYL-

Chemical Property of 1-Cyano-2,2,3-trimethylcyclopropane-1-carboxylic acid

Chemical Property:

• Boiling Point: 288.3±23.0 °C(Predicted)
• PKA: 3.13±0.50(Predicted)
• PSA: 61.09000
• Density: 1.15±0.1 g/cm3(Predicted)
• LogP: 1.25688
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 153.078978594
• Heavy Atom Count: 11
• Complexity: 261

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1C(C1(C#N)C(=O)O)(C)C