6-cyano-3,4-dihydro-2,2-dimethyl-2H-1-benzopyran-3-one

Base Information

• Chemical Name: 6-cyano-3,4-dihydro-2,2-dimethyl-2H-1-benzopyran-3-one
• CAS No.: 129718-00-9
• Molecular Formula: C12H11NO2
• Molecular Weight: 201.225
• DSSTox Substance ID: DTXSID90564848
• Wikidata: Q82449695

Synonyms:129718-00-9;6-cyano-3,4-dihydro-2,2-dimethyl-2H-1-benzopyran-3-one;SCHEMBL8645380;DTXSID90564848;IGZIPBSFZMFFPU-UHFFFAOYSA-N;2,2-Dimethyl-3-oxo-3,4-dihydro-2H-1-benzopyran-6-carbonitrile

Chemical Property of 6-cyano-3,4-dihydro-2,2-dimethyl-2H-1-benzopyran-3-one

Chemical Property:

• XLogP3: 1.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 201.078978594
• Heavy Atom Count: 15
• Complexity: 326

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(C(=O)CC2=C(O1)C=CC(=C2)C#N)C

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