3-Cyano-4-ethoxybenzoic acid

Base Information

• Chemical Name: 3-Cyano-4-ethoxybenzoic acid
• CAS No.: 258273-32-4
• Molecular Formula: C10H9 N O3
• Molecular Weight: 191.186
• Hs Code.: 2926907090
• DSSTox Substance ID: DTXSID50591539
• Wikidata: Q72458097
• Mol file: 258273-32-4.mol

Synonyms:3-CYANO-4-ETHOXYBENZOIC ACID;258273-32-4;3-CYANO-4-ETHOXYBENZOICACID;SCHEMBL1402221;DTXSID50591539;PNGOHGRLVRKADR-UHFFFAOYSA-N;MFCD09271828;AKOS006331624;BS-16790;DA-23710;CS-0161081;N16926

Chemical Property of 3-Cyano-4-ethoxybenzoic acid

Chemical Property:

• Vapor Pressure: 3.94E-06mmHg at 25°C
• Boiling Point: 370.1oC at 760 mmHg
• PKA: 3.93±0.10(Predicted)
• Flash Point: 177.6°C
• PSA: 70.32000
• Density: 1.27
• LogP: 1.65518
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 191.058243149
• Heavy Atom Count: 14
• Complexity: 255

Purity/Quality:

98%Min ^*data from raw suppliers

3-Cyano-4-ethoxybenzoicacid 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC1=C(C=C(C=C1)C(=O)O)C#N