4-Isoxazolecarboxylic acid, 3-(9-anthracenyl)-5-methyl-, ethyl ester

Base Information

• Chemical Name: 4-Isoxazolecarboxylic acid, 3-(9-anthracenyl)-5-methyl-, ethyl ester
• CAS No.: 169692-06-2
• Molecular Formula: C21H17NO3
• Molecular Weight: 331.36500
• DSSTox Substance ID: DTXSID00435095
• Nikkaji Number: J1.812.978G
• Wikidata: Q82249789
• Mol file: 169692-06-2.mol

Synonyms:4-Isoxazolecarboxylic acid, 3-(9-anthracenyl)-5-methyl-, ethyl ester;169692-06-2;DTXSID00435095;Ethyl 3-(9-anthryl)-5-methyl-4-isoxazolecarboxylate;ethyl 3-(anthracen-9-yl)-5-methylisoxazole-4-carboxylate;3-(9-Anthryl)-5-methylisoxazole-4-carboxylic acid ethyl ester

Chemical Property of 4-Isoxazolecarboxylic acid, 3-(9-anthracenyl)-5-methyl-, ethyl ester

Chemical Property:

• Boiling Point: 497.5±33.0 °C(Predicted)
• PSA: 52.33000
• Density: 1.228±0.06 g/cm3(Predicted)
• LogP: 5.13310
• XLogP3: 5.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 331.12084340
• Heavy Atom Count: 25
• Complexity: 460

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1=C(ON=C1C2=C3C=CC=CC3=CC4=CC=CC=C42)C

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