Mexicanin E

Base Information

• Chemical Name: Mexicanin E
• CAS No.: 5945-40-4
• Molecular Formula: C14H16 O3
• Molecular Weight: 232.30
• Nikkaji Number: J15.718J
• Wikidata: Q27107355
• Mol file: 5945-40-4.mol

Synonyms:Mexicanin E;Mexicanine E;5945-40-4;NSC 264054;(3aR,5R,5aR,8aR,9aR)-5-methyl-1-methylidene-4,5,5a,8a,9,9a-hexahydro-3aH-azuleno[6,7-b]furan-2,8-dione;Azuleno(6,5-b)furan-2,5-dione, 3,3a,4,4a,7a,8,9,9a-octahydro-8-methyl-3-methylene-, (3aR-(3a-alpha,4a-alpha,7a-alpha,8-alpha,9a-alpha));Mexianin E;CHEBI:6914;LS-23582;C09503;Q27107355;Azuleno[6,5-b]furan-2,5-dione, 3,3a,4,4a,7a,8,9,9a-octahydro-8-methyl-3-methylene-, [3aR-(3a.alpha.,4a.alpha.,7a.alpha.,8.alpha.,9a.alpha.)]-

Chemical Property of Mexicanin E

Chemical Property:

• Vapor Pressure: 1.78E-07mmHg at 25°C
• Refractive Index: 1.5557 (estimate)
• Boiling Point: 426.4°C at 760 mmHg
• Flash Point: 192.4°C
• PSA: 43.37000
• Density: 1.19g/cm³
• LogP: 1.88540
• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 232.109944368
• Heavy Atom Count: 17
• Complexity: 435

Purity/Quality:

99% ^*data from raw suppliers

MEXICANIN-E 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CC2C(CC3C1C=CC3=O)C(=C)C(=O)O2
• Isomeric SMILES: C[C@@H]1C[C@@H]2[C@H](C[C@@H]3[C@H]1C=CC3=O)C(=C)C(=O)O2