6-Methyl-4-oxo-4H-1-benzopyran-3-carboxaldehyde 3-oxime

Base Information

• Chemical Name: 6-Methyl-4-oxo-4H-1-benzopyran-3-carboxaldehyde 3-oxime
• CAS No.: 72164-96-6
• Molecular Formula: C₁₁H₉NO₃
• Molecular Weight: 203.197
• DSSTox Substance ID: DTXSID301206638

Synonyms:Bionet2_000237;Oprea1_518184;DTXSID301206638;HMS2294B24;6-Methyl-4-oxo-4H-1-benzopyran-3-carboxaldehyde 3-oxime

Chemical Property of 6-Methyl-4-oxo-4H-1-benzopyran-3-carboxaldehyde 3-oxime

Chemical Property:

• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 203.058243149
• Heavy Atom Count: 15
• Complexity: 322

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MSDS Files:

Useful:

• Canonical SMILES: CC1=CC2=C(C=C1)OC=C(C2=O)C=NO

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