Obscurolide A1

Base Information

• Chemical Name: Obscurolide A1
• CAS No.: 144397-99-9
• Molecular Formula: C15H17 N O5
• Molecular Weight: 291.3
• Nikkaji Number: J506.473B
• Metabolomics Workbench ID: 164893
• Mol file: 144397-99-9.mol

Synonyms:obscurolide A1

Chemical Property of Obscurolide A1

Chemical Property:

• Vapor Pressure: 4.34E-14mmHg at 25°C
• Boiling Point: 575.6°Cat760mmHg
• Flash Point: 301.9°C
• PSA: 95.86000
• Density: 1.427g/cm³
• LogP: 1.49080
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 291.11067264
• Heavy Atom Count: 21
• Complexity: 414

Purity/Quality:

98%Min ^*data from raw suppliers

Obscurolide A1 ^*data from reagent suppliers

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