Otobanone

Base Information

• Chemical Name: Otobanone
• CAS No.: 34426-79-4
• Molecular Formula: C20H18O5
• Molecular Weight: 338.3539
• UNII: VZU5TKC74T
• DSSTox Substance ID: DTXSID50188004
• Wikidata: Q83059770
• Mol file: 34426-79-4.mol

Synonyms:1-oxo-otobain;otobanone

Chemical Property of Otobanone

Chemical Property:

• Vapor Pressure: 1.11E-08mmHg at 25°C
• Boiling Point: 461°Cat760mmHg
• Flash Point: 203.4°C
• Density: 1.304g/cm³
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 338.11542367
• Heavy Atom Count: 25
• Complexity: 536

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1C(C(=O)C2=C(C1C3=CC4=C(C=C3)OCO4)C5=C(C=C2)OCO5)C
• Isomeric SMILES: C[C@H]1[C@@H](C(=O)C2=C([C@@H]1C3=CC4=C(C=C3)OCO4)C5=C(C=C2)OCO5)C