Alkannin-beta-hydroxyisovalerate

Base Information

• Chemical Name: Alkannin-beta-hydroxyisovalerate
• CAS No.: 87798-74-1
• Molecular Formula: C21H24O7
• Molecular Weight: 388.4111
• NSC Number: 373954,110263
• Wikidata: Q105173948
• Mol file: 87798-74-1.mol

Synonyms:beta-HIVS;beta-hydroxyisovalerylshikonin

Chemical Property of Alkannin-beta-hydroxyisovalerate

Chemical Property:

• Vapor Pressure: 4.46E-16mmHg at 25°C
• Boiling Point: 616.9°C at 760 mmHg
• Flash Point: 215.8°C
• Density: 1.312g/cm³
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 7
• Exact Mass: 388.15220310
• Heavy Atom Count: 28
• Complexity: 700

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=CCC(C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)OC(=O)CC(C)(C)O)C