3-Methoxybicyclo[4.2.0]octa-1,3,5-triene-7,8-dione

Base Information

• Chemical Name: 3-Methoxybicyclo[4.2.0]octa-1,3,5-triene-7,8-dione
• CAS No.: 41634-29-1
• Molecular Formula: C₉H₆O₃
• Molecular Weight: 162.145
• DSSTox Substance ID: DTXSID70356980
• Wikidata: Q82136641
• Mol file: 41634-29-1.mol

Synonyms:41634-29-1;3-methoxybicyclo[4.2.0]octa-1,3,5-triene-7,8-dione;AN-967/15490003;3-METHOXYBICYCLO[4.2.0]OCTA-1(6),2,4-TRIENE-7,8-DIONE;DTXSID70356980;AKOS004907506

Chemical Property of 3-Methoxybicyclo[4.2.0]octa-1,3,5-triene-7,8-dione

Chemical Property:

• PSA: 43.37000
• LogP: 0.44440
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 162.031694049
• Heavy Atom Count: 12
• Complexity: 234

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

Useful:

• Canonical SMILES: COC1=CC2=C(C=C1)C(=O)C2=O