Coumarin 525

Base Information

• Chemical Name: Coumarin 525
• CAS No.: 87331-47-3
• Molecular Formula: C22H18N2O3
• Molecular Weight: 358.39
• DSSTox Substance ID: DTXSID501122161
• Nikkaji Number: J228.087F
• Mol file: 87331-47-3.mol

Synonyms:Coumarin 525;87331-47-3;1H,5H,11H-[1]Benzopyrano[6,7,8-ij]quinolizin-11-one,10-(2-benzoxazolyl)-2,3,6,7-tetrahydro-;5-(1,3-benzoxazol-2-yl)-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one;10-(2-Benzoxazolyl)-2,3,6,7-tetrahydro-1H,5H,11H-[1]benzopyrano[6,7,8-ij]quinolizin-11-one;SCHEMBL15398201;DTXSID501122161;C3047;CS-0373776;D89537;10-(2-Benzoxazolyl)-2,3,6,7-tetrahydro-1H,5H,11H-[1];10-(Benzo[d]oxazol-2-yl)-2,3,6,7-tetrahydro-1H-pyrano[2,3-f]pyrido[3,2,1-ij]quinolin-11(5H)-one;1H,5H,11H-[1]Benzopyrano[6,7,8-ij]quinolizin-11-one, 10-(2-benzoxazolyl)-2,3,6,7-tetrahydro-

Chemical Property of Coumarin 525

Chemical Property:

• Melting Point: 278°C(lit.)
• PSA: 59.48000
• LogP: 4.36500
• XLogP3: 4.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 358.13174244
• Heavy Atom Count: 27
• Complexity: 650

Purity/Quality:

97% ^*data from raw suppliers

Coumarin 525 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC2=C3C(=C4C(=C2)C=C(C(=O)O4)C5=NC6=CC=CC=C6O5)CCCN3C1