Vernodalin

Base Information

• Chemical Name: Vernodalin
• CAS No.: 21871-10-3
• Deprecated CAS: 56064-66-5
• Molecular Formula: C19H20O7
• Molecular Weight: 360.3579
• DSSTox Substance ID: DTXSID20944472
• Nikkaji Number: J15.973E
• Wikidata: Q27108533
• ChEMBL ID: CHEMBL251225
• Mol file: 21871-10-3.mol

Synonyms:vernodalin

Chemical Property of Vernodalin

Chemical Property:

• Vapor Pressure: 7.45E-17mmHg at 25°C
• Refractive Index: 1.563
• Boiling Point: 599.2°Cat760mmHg
• Flash Point: 216.6°C
• PSA: 99.13000
• Density: 1.31g/cm³
• LogP: 0.84980
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 5
• Exact Mass: 360.12090297
• Heavy Atom Count: 26
• Complexity: 749

Purity/Quality:

≥98% （HPLC） ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C=CC12CC(C3C(C1C(=C)C(=O)OC2)OC(=O)C3=C)OC(=O)C(=C)CO
• Isomeric SMILES: C=C[C@]12C[C@@H]([C@@H]3[C@@H]([C@H]1C(=C)C(=O)OC2)OC(=O)C3=C)OC(=O)C(=C)CO