Benzoxazolium, 3-heptyl-2-(3-(3-heptyl-2(3H)-benzoxazolylidene)-1-propenyl)-

Base Information

• Chemical Name: Benzoxazolium, 3-heptyl-2-(3-(3-heptyl-2(3H)-benzoxazolylidene)-1-propenyl)-
• CAS No.: 79953-80-3
• Molecular Formula: C31H41 N2 O2
• Molecular Weight: 473.66944
• Mol file: 79953-80-3.mol

Synonyms:3,3'-DHPCC;3,3'-diheptyloxycarbocyanine;DiOC(7);DiOC7(3)

Chemical Property of Benzoxazolium, 3-heptyl-2-(3-(3-heptyl-2(3H)-benzoxazolylidene)-1-propenyl)-

Chemical Property:

• PSA: 36.14000
• LogP: 8.77890
• XLogP3: 10.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 14
• Exact Mass: 473.316803555
• Heavy Atom Count: 35
• Complexity: 608

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCN1C2=CC=CC=C2OC1=CC=CC3=[N+](C4=CC=CC=C4O3)CCCCCCC
• Isomeric SMILES: CCCCCCCN\1C2=CC=CC=C2O/C1=C\C=C\C3=[N+](C4=CC=CC=C4O3)CCCCCCC