Onopordopicrin

Base Information

• Chemical Name: Onopordopicrin
• CAS No.: 19889-00-0
• Molecular Formula: C19H24 O6
• Molecular Weight: 348.39
• DSSTox Substance ID: DTXSID901099629
• Wikidata: Q27107580
• Mol file: 19889-00-0.mol

Synonyms:onopordopicrin

Chemical Property of Onopordopicrin

Chemical Property:

• Vapor Pressure: 2.02E-15mmHg at 25°C
• Boiling Point: 571.1°Cat760mmHg
• Flash Point: 203.3°C
• PSA: 93.06000
• Density: 1.23g/cm³
• LogP: 1.59340
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 348.15728848
• Heavy Atom Count: 25
• Complexity: 642

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CCCC(=CC2C(C(C1)OC(=O)C(=C)CO)C(=C)C(=O)O2)CO
• Isomeric SMILES: C/C/1=C\CC/C(=C/[C@@H]2[C@@H]([C@H](C1)OC(=O)C(=C)CO)C(=C)C(=O)O2)/CO