4H-Azepin-4-one

Base Information

• Chemical Name: 4H-Azepin-4-one
• CAS No.: 612548-36-4
• Molecular Formula: C6H5NO
• DSSTox Substance ID: DTXSID30591072,DTXSID30796803
• Nikkaji Number: J2.569.340J,J885.331B

Synonyms:4H-Azepin-4-one;4-azepinone;35879-33-5;612548-36-4;1-azacyclohepta-1,2,4,6-tetraen-4-ol;SCHEMBL2330633;SCHEMBL18598974;DTXSID30591072;DTXSID30796803

Chemical Property of 4H-Azepin-4-one

Chemical Property:

• XLogP3: -0.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 107.037113783
• Heavy Atom Count: 8
• Complexity: 177

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=O)C=CN=C1

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