3-(Nitromethylene)-1(3H)-isobenzofuranone

Base Information

• Chemical Name: 3-(Nitromethylene)-1(3H)-isobenzofuranone
• CAS No.: 60561-31-1
• Molecular Formula: C₉H₅NO₄
• Molecular Weight: 191.143
• DSSTox Substance ID: DTXSID201271844

Synonyms:SCHEMBL11470985;DTXSID201271844;60561-31-1;3-(Nitromethylene)-1(3H)-isobenzofuranone

Chemical Property of 3-(Nitromethylene)-1(3H)-isobenzofuranone

Chemical Property:

• XLogP3: 1.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 191.02185764
• Heavy Atom Count: 14
• Complexity: 304

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• Canonical SMILES: C1=CC=C2C(=C1)C(=C[N+](=O)[O-])OC2=O

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