Aristololactam A-III

Base Information

• Chemical Name: Aristololactam A-III
• CAS No.: 53948-08-6
• Molecular Formula: C17H13NO4
• Molecular Weight: 295.29
• DSSTox Substance ID: DTXSID001226774
• Nikkaji Number: J381.096H
• Wikidata: Q104396370
• Mol file: 53948-08-6.mol

Synonyms:53948-08-6;Aristololactam A-III;DTXSID001226774;1,9-Dimethoxy-2-hydroxydibenz[cd,f]indol-4(5H)-one;2-Hydroxy-1,9-dimethoxydibenz[cd,f]indol-4(5H)-one

Chemical Property of Aristololactam A-III

Chemical Property:

• PSA: 71.55000
• LogP: 2.99510
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 295.08445790
• Heavy Atom Count: 22
• Complexity: 456

Purity/Quality:

HPLC≥98% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: COC1=CC2=C3C4=C(C=C2C=C1)NC(=O)C4=CC(=C3OC)O