3-(4-Ethoxyphenyl)-4-(6a-methyl-4,6-dioxo-5-phenyl-4,5,6,6a-tetrahydro-3aH-pyrrolo[3,4-d][1,2]oxazol-3-yl)-1,2,3-oxadiazol-3-ium-5-olate

Base Information

• Chemical Name: 3-(4-Ethoxyphenyl)-4-(6a-methyl-4,6-dioxo-5-phenyl-4,5,6,6a-tetrahydro-3aH-pyrrolo[3,4-d][1,2]oxazol-3-yl)-1,2,3-oxadiazol-3-ium-5-olate
• CAS No.: 7231-95-0
• Molecular Formula: C22H18N4O6
• Molecular Weight: 434.4015
• DSSTox Substance ID: DTXSID10413086

Synonyms:7231-95-0;DTXSID10413086;3-(4-Ethoxyphenyl)-4-(6a-methyl-4,6-dioxo-5-phenyl-4,5,6,6a-tetrahydro-3aH-pyrrolo[3,4-d][1,2]oxazol-3-yl)-1,2,3-oxadiazol-3-ium-5-olate

Chemical Property of 3-(4-Ethoxyphenyl)-4-(6a-methyl-4,6-dioxo-5-phenyl-4,5,6,6a-tetrahydro-3aH-pyrrolo[3,4-d][1,2]oxazol-3-yl)-1,2,3-oxadiazol-3-ium-5-olate

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Density: g/cm³
• XLogP3: 4.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 5
• Exact Mass: 434.12263431
• Heavy Atom Count: 32
• Complexity: 778

Purity/Quality:

Safty Information:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC1=CC=C(C=C1)[N+]2=NOC(=C2C3=NOC4(C3C(=O)N(C4=O)C5=CC=CC=C5)C)[O-]

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