Methyl 2-(4-cyanobutoxy)benzoate

Base Information

• Chemical Name: Methyl 2-(4-cyanobutoxy)benzoate
• CAS No.: 289651-43-0
• Molecular Formula: C13H15 N O3
• Molecular Weight: 233.26
• DSSTox Substance ID: DTXSID70381974
• Wikidata: Q82173211
• Mol file: 289651-43-0.mol

Synonyms:methyl 2-(4-cyanobutoxy)benzoate;289651-43-0;Benzoic acid, 2-(4-cyanobutoxy)-, methyl ester;DTXSID70381974;FT-0723469;A1-63998

Chemical Property of Methyl 2-(4-cyanobutoxy)benzoate

Chemical Property:

• PSA: 59.32000
• LogP: 2.54588
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 233.10519334
• Heavy Atom Count: 17
• Complexity: 282

Purity/Quality:

METHYL 2-(4-CYANOBUTOXY)BENZOATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C1=CC=CC=C1OCCCCC#N