Santalin

Base Information

• Chemical Name: Santalin
• CAS No.: 7400-10-4
• Molecular Formula: C15H14O5
• Molecular Weight: 274.2687
• NSC Number: 59267
• UNII: T5O6XK6L55
• DSSTox Substance ID: DTXSID30224792
• Wikidata: Q83103506
• Metabolomics Workbench ID: 126038
• ChEMBL ID: CHEMBL1995638
• Mol file: 7400-10-4.mol

Synonyms:Santalin

Chemical Property of Santalin

Chemical Property:

• Vapor Pressure: 5.22E-14mmHg at 25°C
• Boiling Point: 579.1°Cat760mmHg
• Flash Point: 224.2°C
• Density: 1.46g/cm³
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 274.08412354
• Heavy Atom Count: 20
• Complexity: 481

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=C2C(=C1O)C(=O)C3=C(C2=O)CCCC3)O