6,7-Dimethoxy-3,4-dihydronaphthalene-1-carbonitrile

Base Information

• Chemical Name: 6,7-Dimethoxy-3,4-dihydronaphthalene-1-carbonitrile
• CAS No.: 85221-58-5
• Molecular Formula: C13H13NO2
• Molecular Weight: 215.24800
• DSSTox Substance ID: DTXSID30571233
• Wikidata: Q82459266

Synonyms:6,7-Dimethoxy-3,4-dihydronaphthalene-1-carbonitrile;85221-58-5;SCHEMBL1669168;DTXSID30571233;YUXTUOURBBZMFW-UHFFFAOYSA-N;F92220;6,7-dimethoxy-3,4-dihydronapthalene-1-carbonitrile

Chemical Property of 6,7-Dimethoxy-3,4-dihydronaphthalene-1-carbonitrile

Chemical Property:

• PSA: 42.25000
• LogP: 2.55698
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 215.094628657
• Heavy Atom Count: 16
• Complexity: 328

Purity/Quality:

Safty Information:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=C2C(=C1)CCC=C2C#N)OC

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