Obscurolide A3

Base Information

• Chemical Name: Obscurolide A3
• CAS No.: 144398-01-6
• Molecular Formula: C15H19 N O4
• Molecular Weight: 277.32
• Nikkaji Number: J506.475I
• Metabolomics Workbench ID: 164894
• Mol file: 144398-01-6.mol

Synonyms:obscurolide A3

Chemical Property of Obscurolide A3

Chemical Property:

• Vapor Pressure: 1.11E-12mmHg at 25°C
• Boiling Point: 544.3°Cat760mmHg
• PKA: 14.65±0.10(Predicted)
• Flash Point: 283°C
• PSA: 78.79000
• Density: 1.35g/cm³
• LogP: 1.28490
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 277.13140809
• Heavy Atom Count: 20
• Complexity: 350

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C=CC1C(CC(=O)O1)NC2=CC=C(C=C2)CO)O
• Isomeric SMILES: CC(/C=C/C1C(CC(=O)O1)NC2=CC=C(C=C2)CO)O