Cannabiscitrin

Base Information

• Chemical Name: Cannabiscitrin
• CAS No.: 520-14-9
• Molecular Formula: C21H20O13
• Molecular Weight: 480.41
• DSSTox Substance ID: DTXSID80199961
• Nikkaji Number: J16.965J
• Wikidata: Q27145565
• Mol file: 520-14-9.mol

Synonyms:cannabiscitrin

Chemical Property of Cannabiscitrin

Chemical Property:

• Vapor Pressure: 2.91E-34mmHg at 25°C
• Melting Point: 245 °C (decomp)
• Refractive Index: 1.8000 (estimate)
• Boiling Point: 893.1°Cat760mmHg
• PKA: 6.29±0.40(Predicted)
• Flash Point: 313.2°C
• PSA: 230.74000
• Density: 1.883g/cm³
• LogP: -0.83330
• XLogP3: 0
• Hydrogen Bond Donor Count: 9
• Hydrogen Bond Acceptor Count: 13
• Rotatable Bond Count: 4
• Exact Mass: 480.09039069
• Heavy Atom Count: 34
• Complexity: 789

Purity/Quality:

97% ^*data from raw suppliers

Cannabiscitrin ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C=C(C(=C1O)O)OC2C(C(C(C(O2)CO)O)O)O)C3=C(C(=O)C4=C(C=C(C=C4O3)O)O)O
• Isomeric SMILES: C1=C(C=C(C(=C1O)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)C3=C(C(=O)C4=C(C=C(C=C4O3)O)O)O