7-Azabicyclo[4.2.0]oct-3-en-8-one

Base Information

• Chemical Name: 7-Azabicyclo[4.2.0]oct-3-en-8-one
• CAS No.: 20205-48-5
• Molecular Formula: C7H9NO
• Molecular Weight: 123.155
• Hs Code.: 2933790090
• NSC Number: 174620
• DSSTox Substance ID: DTXSID70942281
• Nikkaji Number: J2.540.342H
• ChEMBL ID: CHEMBL361771
• Mol file: 20205-48-5.mol

Synonyms:7-Azabicyclo[4.2.0]oct-3-en-8-one;20205-48-5;NSC174620;1,2,2a,3,6,6a-hexahydro-1-benzazet-2-one;7-Azabicyclo(4.2.0)oct-3-en-8-one;8-azabicyclo[4.2.0]oct-3-en-7-one;NSC 174620;CHEMBL361771;SCHEMBL5937964;DTXSID70942281;IHROAFZNBVGGFN-UHFFFAOYSA-N;MFCD00830733;AKOS006221679;NSC-174620;8-oxo-7-azabicyclo[4,2,0]oct-3-ene;TS-01629;7-Azabicyclo[4.2.0]octa-3,7-dien-8-ol;CS-0056270;W18792;(+/-)-7-azabicyclo[4.2.0]oct-3-en-8-one

Chemical Property of 7-Azabicyclo[4.2.0]oct-3-en-8-one

Chemical Property:

• Vapor Pressure: 0.00087mmHg at 25°C
• Melting Point: 121.5 °C
• Boiling Point: 304.5°Cat760mmHg
• Flash Point: 171.9°C
• PSA: 29.10000
• Density: 1.132g/cm³
• LogP: 0.77980
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 123.068413911
• Heavy Atom Count: 9
• Complexity: 174

Purity/Quality:

97% ^*data from raw suppliers

7-Azabicyclo[4.2.0]oct-3-en-8-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C=CCC2C1C(=O)N2