3,6-Dihydroxy-4-methylbenzene-1,2-dicarbonitrile

Base Information

• Chemical Name: 3,6-Dihydroxy-4-methylbenzene-1,2-dicarbonitrile
• CAS No.: 100756-77-2
• Molecular Formula: C9H6N2O2
• DSSTox Substance ID: DTXSID80547584
• Wikidata: Q82425885
• Mol file: 100756-77-2.mol

Synonyms:100756-77-2;3,6-Dihydroxy-4-methylphthalonitrile;3,6-dihydroxy-4-methylbenzene-1,2-dicarbonitrile;SCHEMBL23484201;DTXSID80547584;AKOS022638819

Chemical Property of 3,6-Dihydroxy-4-methylbenzene-1,2-dicarbonitrile

Chemical Property:

• XLogP3: 2.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 174.042927438
• Heavy Atom Count: 13
• Complexity: 285

Purity/Quality:

Safty Information:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C(=C1O)C#N)C#N)O

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