2,5-Dimethoxybicyclo[4.2.0]octa-1,3,5-trien-7-one

Base Information

• Chemical Name: 2,5-Dimethoxybicyclo[4.2.0]octa-1,3,5-trien-7-one
• CAS No.: 75833-45-3
• Molecular Formula: C10H10O3
• Molecular Weight: 178.188
• DSSTox Substance ID: DTXSID80372934
• Wikidata: Q82160939
• Mol file: 75833-45-3.mol

Synonyms:2,5-dimethoxybicyclo[4.2.0]octa-1,3,5-trien-7-one;75833-45-3;SCHEMBL16698647;Bicyclo[4.2.0]octa-1,3,5-trien-7-one, 2,5-dimethoxy-;DTXSID80372934;AKOS004907604;AJ-291/34003006

Chemical Property of 2,5-Dimethoxybicyclo[4.2.0]octa-1,3,5-trien-7-one

Chemical Property:

• PSA: 35.53000
• LogP: 1.44260
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 178.062994177
• Heavy Atom Count: 13
• Complexity: 214

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C2CC(=O)C2=C(C=C1)OC