3-Oxo-3H-benzo[f]chromene-2-carbonitrile

Base Information

• Chemical Name: 3-Oxo-3H-benzo[f]chromene-2-carbonitrile
• CAS No.: 4352-88-9
• Molecular Formula: C14H7NO2
• Molecular Weight: 221.21100
• Hs Code.: 2926909090
• DSSTox Substance ID: DTXSID80354174
• Nikkaji Number: J698.989F
• Wikidata: Q82132174
• ChEMBL ID: CHEMBL1565827
• Mol file: 4352-88-9.mol

Synonyms:3-Oxo-3H-benzo[f]chromene-2-carbonitrile;4352-88-9;MLS000717099;3H-Naphtho[2,1-b]pyran-2-carbonitrile, 3-oxo-;SMR000280066;3-oxobenzo[f]chromene-2-carbonitrile;Oprea1_094429;Oprea1_555891;cid_765543;CHEMBL1565827;BDBM75015;DTXSID80354174;HMS1672N08;HMS2660C10;STK396876;3-ketobenzo[f]chromene-2-carbonitrile;AKOS000645633;3-oxo-2-benzo[f][1]benzopyrancarbonitrile;3-oxidanylidenebenzo[f]chromene-2-carbonitrile;SR-01000393247;SR-01000393247-1

Chemical Property of 3-Oxo-3H-benzo[f]chromene-2-carbonitrile

Chemical Property:

• Melting Point: >300 °C
• Boiling Point: 452.8±24.0 °C(Predicted)
• PSA: 54.00000
• Density: 1.37±0.1 g/cm3(Predicted)
• LogP: 2.81788
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 221.047678466
• Heavy Atom Count: 17
• Complexity: 417

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C=CC3=C2C=C(C(=O)O3)C#N