2-Imino-4-methyl-2H-1-benzopyran-3-carbonitrile

Base Information

• Chemical Name: 2-Imino-4-methyl-2H-1-benzopyran-3-carbonitrile
• CAS No.: 41078-17-5
• Molecular Formula: C11H8N2O
• Molecular Weight: 184.19400
• NSC Number: 685499
• DSSTox Substance ID: DTXSID901242052
• Nikkaji Number: J726.278G
• ChEMBL ID: CHEMBL1988096
• Mol file: 41078-17-5.mol

Synonyms:NSC685499;2-Imino-4-methyl-2H-1-benzopyran-3-carbonitrile;CHEMBL1988096;DTXSID901242052;NSC-685499;3-cyano-4-methyl-benzo[b]pyran-2-imine;2-imino-4-methyl-chromene-3-carbonitrile;41078-17-5;NCI60_030758;2-Imino-4-methyl-2H-chromene-3-carbonitrile

Chemical Property of 2-Imino-4-methyl-2H-1-benzopyran-3-carbonitrile

Chemical Property:

• PSA: 60.78000
• LogP: 2.19208
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 184.063662883
• Heavy Atom Count: 14
• Complexity: 348

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C(=N)OC2=CC=CC=C12)C#N