Stellatin

Base Information

• Chemical Name: Stellatin
• CAS No.: 62995-11-3
• Molecular Formula: C12H12O5
• Molecular Weight: 236.22
• Hs Code.: 2914509090
• UNII: 816P6563TH
• DSSTox Substance ID: DTXSID101316849
• Nikkaji Number: J18.521C
• Wikidata: Q27135827
• Metabolomics Workbench ID: 124129
• ChEMBL ID: CHEMBL1684136
• Mol file: 62995-11-3.mol

Synonyms:3,4-dihydro-8-hydroxy-7-hydroxymethyl-6-methoxyisocoumarin;stellatin

Chemical Property of Stellatin

Chemical Property:

• PSA: 68.90000
• LogP: 1.82420
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 236.06847348
• Heavy Atom Count: 17
• Complexity: 338

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=O)C2=C(C(=C(C=C2O1)OC)OC)O