sambucinol

Base Information

• Chemical Name: sambucinol
• CAS No.: 90044-33-0
• Molecular Formula: C15H22 O4
• Molecular Weight: 266.34
• UNII: VYS174Q62V
• Nikkaji Number: J92.582I
• Wikidata: Q27292103
• Mol file: 90044-33-0.mol

Synonyms:3,4a-Epoxy-4aH-cyclopenta[b]benzofuran,trichothec-9-ene-3,13-diol deriv.; Sambucinol

Chemical Property of sambucinol

Chemical Property:

• Vapor Pressure: 3.93E-08mmHg at 25°C
• Boiling Point: 401.9°Cat760mmHg
• Flash Point: 196.9°C
• PSA: 58.92000
• Density: 1.3g/cm³
• LogP: 1.36010
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 266.15180918
• Heavy Atom Count: 19
• Complexity: 489

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC23C(CC1)(C4(CC(C(C4(O2)CO)O3)O)C)C
• Isomeric SMILES: CC1=C[C@]23[C@](CC1)([C@]4(C[C@@H]([C@H]([C@]4(O2)CO)O3)O)C)C