Oryzalexin A

Base Information

• Chemical Name: Oryzalexin A
• CAS No.: 85394-31-6
• Molecular Formula: C₂₀H₃₀O₂
• Molecular Weight: 302.457
• UNII: 6I1EDL774J
• DSSTox Substance ID: DTXSID001005895
• Nikkaji Number: J152.392I
• Wikidata: Q27105080
• Mol file: 85394-31-6.mol

Synonyms:oryzalexin A

Chemical Property of Oryzalexin A

Chemical Property:

• Vapor Pressure: 1.17E-08mmHg at 25°C
• Boiling Point: 416°Cat760mmHg
• PKA: 15.02±0.70(Predicted)
• Flash Point: 177.6°C
• PSA: 37.30000
• Density: 1.05g/cm³
• LogP: 4.29130
• XLogP3: 4.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 302.224580195
• Heavy Atom Count: 22
• Complexity: 544

Purity/Quality:

99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(C(CCC2(C1CC(=O)C3=CC(CCC32)(C)C=C)C)O)C
• Isomeric SMILES: C[C@]1(CC[C@@H]2C(=C1)C(=O)C[C@H]3[C@]2(CC[C@H](C3(C)C)O)C)C=C