4-Pentyloxy-benzoic acid 2,3-dicyano-4-pentyloxy-phenyl ester

Base Information

• Chemical Name: 4-Pentyloxy-benzoic acid 2,3-dicyano-4-pentyloxy-phenyl ester
• CAS No.: 67042-21-1
• Molecular Formula: C25H28N2O4
• Molecular Weight: 420.50100
• European Community (EC) Number: 684-807-9
• DSSTox Substance ID: DTXSID00391960
• Wikidata: Q82189794
• Mol file: 67042-21-1.mol

Synonyms:4-PENTYLOXY-BENZOIC ACID 2,3-DICYANO-4-PENTYLOXY-PHENYL ESTER;STK069106;2,3-dicyano-4-(pentyloxy)phenyl 4-(pentyloxy)benzoate;67042-21-1;DTXSID00391960;AKOS001584284

Chemical Property of 4-Pentyloxy-benzoic acid 2,3-dicyano-4-pentyloxy-phenyl ester

Chemical Property:

• PSA: 92.34000
• LogP: 5.78716
• XLogP3: 6.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 13
• Exact Mass: 420.20490738
• Heavy Atom Count: 31
• Complexity: 626

Purity/Quality:

99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCOC1=CC=C(C=C1)C(=O)OC2=C(C(=C(C=C2)OCCCCC)C#N)C#N