1-Naphthalenecarbonitrile, 3,4-dihydro-3,4-dioxo-

Base Information

• Chemical Name: 1-Naphthalenecarbonitrile, 3,4-dihydro-3,4-dioxo-
• CAS No.: 52749-62-9
• Molecular Formula: C₁₁H₅NO₂
• Molecular Weight: 183.166
• DSSTox Substance ID: DTXSID00447198
• Nikkaji Number: J1.524.350C
• Wikidata: Q82266023

Synonyms:52749-62-9;4-cyano-1,2-naphthoquinone;1-Naphthalenecarbonitrile, 3,4-dihydro-3,4-dioxo-;DTXSID00447198;3,4-Dihydro-3,4-dioxonaphthalene-1-carbonitrile

Chemical Property of 1-Naphthalenecarbonitrile, 3,4-dihydro-3,4-dioxo-

Chemical Property:

• XLogP3: 0.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 183.032028402
• Heavy Atom Count: 14
• Complexity: 372

Purity/Quality:

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MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C(=CC(=O)C2=O)C#N

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