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Sq 30957

  • Formula: C7H6N2O2

  • Molecular weight: 150.13

  • Smiles: COC1=C(C=CC(=C1)[O-])[N+]#N

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Sq 30957

Names
Structural Information
Physico-chemical Properties
ADME
Toxicity
Medical Chemistry
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Names

  • Mycotoxin name: Sq 30957

  • First synonym: 4-diazo-3-methoxy-2,5-cyclohexadien-1-one

  • Synonyms: 4-Diazo-3-methoxy-2,5-cyclohexadien-1-one,105114-23-6,4-diazonio-3-methoxyphenolate,SQ 30957,ACMC-20m7xq,2,5-Cyclohexadien-1-one,4-diazo-3-methoxy-,2,5-Cyclohexadien-1-one, 4-diazo-3-methoxy-,DTXSID40146956,AKOS006276528,SQ-30957,SQ-30,957,3-METHOXY-4-(??-DIAZYNYLIDENE)CYCLOHEXA-2,5-DIEN-1-ONE

Identifiers / External links

  • CAS: 105114-23-6

  • PubChem CID: 128791

  • DSS TOX CID: DTXCID7069447

  • CompTox Chemicals Dashboard (DTXSID): DTXSID40146956

Structure

  • Smiles: COC1=C(C=CC(=C1)[O-])[N+]#N

  • Isomeric smiles: COC1=C(C=CC(=C1)[O-])[N+]#N

  • Inchi: InChI=1S/C7H6N2O2/c1-11-7-4-5(10)2-3-6(7)9-8/h2-4H,1H3

  • Inchikey: JGURBIRPPYXGNF-UHFFFAOYSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C7H6N2O2

  • Molecular weight: 150.13

  • Monoisotopic mass: 150.042927438

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