Orchinol

Base Information

• Chemical Name: Orchinol
• CAS No.: 41060-20-2
• Molecular Formula: C₁₆H₁₆O₃
• Molecular Weight: 256.301
• UNII: V897GN013Q
• DSSTox Substance ID: DTXSID90961419
• Nikkaji Number: J17.726A
• Wikipedia: Orchinol
• Wikidata: Q18357936
• Metabolomics Workbench ID: 68348
• Mol file: 41060-20-2.mol

Synonyms:7-hydroxy-2,4-dimethoxy-9,10-dihydrophenanthrene;orchinol

Chemical Property of Orchinol

Chemical Property:

• Vapor Pressure: 2.25E-09mmHg at 25°C
• Boiling Point: 467.8°C at 760 mmHg
• Flash Point: 236.7°C
• PSA: 38.69000
• Density: 1.206g/cm³
• LogP: 3.17500
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 256.109944368
• Heavy Atom Count: 19
• Complexity: 306

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC2=C(C3=C(CC2)C=C(C=C3)O)C(=C1)OC