Florilenalin

Base Information

• Chemical Name: Florilenalin
• CAS No.: 54964-49-7
• Molecular Formula: C15H20O4
• Molecular Weight: 264.3169
• DSSTox Substance ID: DTXSID90331779
• Nikkaji Number: J13.065F
• Wikidata: Q27106655
• Mol file: 54964-49-7.mol

Synonyms:Florilenalin;54964-49-7;(3aR,5aS,6S,8R,8aR,9aR)-6,8-dihydroxy-8-methyl-1,5-dimethylidene-3a,4,5a,6,7,8a,9,9a-octahydroazuleno[6,5-b]furan-2-one;C09453;CHEBI:5095;DTXSID90331779;HY-N8734;AKOS040761742;CS-0148986;Q27106655

Chemical Property of Florilenalin

Chemical Property:

• Vapor Pressure: 8.52E-11mmHg at 25°C
• Boiling Point: 469.7°Cat760mmHg
• Flash Point: 177.4°C
• PSA: 66.76000
• Density: 1.24g/cm³
• LogP: 1.18220
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 264.13615911
• Heavy Atom Count: 19
• Complexity: 469

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(CC(C2C1CC3C(CC2=C)OC(=O)C3=C)O)O
• Isomeric SMILES: C[C@]1(C[C@@H]([C@H]2[C@H]1C[C@H]3[C@@H](CC2=C)OC(=O)C3=C)O)O