Shanorellin

Base Information

• Chemical Name: Shanorellin
• CAS No.: 22631-97-6
• Molecular Formula: C₉H₁₀O₄
• Molecular Weight: 182.176
• DSSTox Substance ID: DTXSID40945289
• Nikkaji Number: J20.113H
• Wikidata: Q82922596,Q105119384
• Mol file: 22631-97-6.mol

Synonyms:2,6-dimethyl-3-hydroxymethyl-5-hydroxy-1,4-benzoquinone;shanorellin

Chemical Property of Shanorellin

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 325.7°Cat760mmHg
• Flash Point: 165°C
• PSA: 74.60000
• Density: 1.364g/cm³
• LogP: 0.27900
• XLogP3: -0.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 182.05790880
• Heavy Atom Count: 13
• Complexity: 347

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C(=O)C(=O)C(=C1O)C)CO