3H-2,4-Benzodioxepine

Base Information

• Chemical Name: 3H-2,4-Benzodioxepine
• CAS No.: 264-40-4
• Molecular Formula: C9H8O2
• Molecular Weight: 148.15900
• DSSTox Substance ID: DTXSID70707014
• Mol file: 264-40-4.mol

Synonyms:3H-2,4-Benzodioxepine;264-40-4;SCHEMBL5496277;DTXSID70707014

Chemical Property of 3H-2,4-Benzodioxepine

Chemical Property:

• Boiling Point: 407.5±15.0 °C(Predicted)
• PSA: 18.46000
• Density: 1.17±0.1 g/cm3(Predicted)
• LogP: 0.16690
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 148.052429494
• Heavy Atom Count: 11
• Complexity: 241

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1OC=C2C=CC=CC2=CO1