6-(2-(3-(3-Ethylbenzo[d]oxazol-3-ium-2-yl)allylidene)benzo[d]oxazol-3(2H)-yl)hexanoate

Base Information

• Chemical Name: 6-(2-(3-(3-Ethylbenzo[d]oxazol-3-ium-2-yl)allylidene)benzo[d]oxazol-3(2H)-yl)hexanoate
• CAS No.: 260430-02-2
• Molecular Formula: C25H26N2O4
• Molecular Weight: 418.5

Synonyms:260430-02-2;CY2;6-(2-(3-(3-Ethylbenzo[d]oxazol-3-ium-2-yl)allylidene)benzo[d]oxazol-3(2H)-yl)hexanoate;6-((E)-2-((e)-3-(3-Ethylbenzo[d]oxazol-3-ium-2-yl)allylidene)benzo[d]oxazol-3(2H)-yl)hexanoate;MFCD29472574;AKOS030236425;MS-27320;A897917;Benzoxazolium, 2-[3-[3-(5-carboxypentyl)-2(3H)-benzoxazolylidene]-1-propen-1-yl]-3-ethyl-, inner salt

Chemical Property of 6-(2-(3-(3-Ethylbenzo[d]oxazol-3-ium-2-yl)allylidene)benzo[d]oxazol-3(2H)-yl)hexanoate

Chemical Property:

• XLogP3: 6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 8
• Exact Mass: 418.18925731
• Heavy Atom Count: 31
• Complexity: 658

Purity/Quality:

99%, ^*data from raw suppliers

CY2 95+% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi:
• Statements: R36/37/38:
• Safety Statements: S26-36/37/39:

MSDS Files:

Useful:

• Canonical SMILES: CCN1C2=CC=CC=C2OC1=CC=CC3=[N+](C4=CC=CC=C4O3)CCCCCC(=O)[O-]
• Isomeric SMILES: CCN\1C2=CC=CC=C2O/C1=C\C=C\C3=[N+](C4=CC=CC=C4O3)CCCCCC(=O)[O-]

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