Chroman-3-yl-acetonitrile

Base Information

• Chemical Name: Chroman-3-yl-acetonitrile
• CAS No.: 113771-49-6
• Molecular Formula: C11H11NO
• DSSTox Substance ID: DTXSID20564553
• Mol file: 113771-49-6.mol

Synonyms:2-(3,4-DIHYDRO-2H-1-BENZOPYRAN-3-YL)ACETONITRILE;Chroman-3-yl-acetonitrile;3-cyanomethylchroman;113771-49-6;SCHEMBL5858925;DTXSID20564553;FUJPHBGPWPWNPW-UHFFFAOYSA-N;EN300-1840220;(3,4-Dihydro-2H-1-benzopyran-3-yl)acetonitrile

Chemical Property of Chroman-3-yl-acetonitrile

Chemical Property:

• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 173.084063974
• Heavy Atom Count: 13
• Complexity: 217

Purity/Quality:

99.90% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C(COC2=CC=CC=C21)CC#N