Appenolide A

Base Information

• Chemical Name: Appenolide A
• CAS No.: 148077-10-5
• Molecular Formula: C14H20 O3
• Molecular Weight: 236.31
• Wikidata: Q75067116
• Metabolomics Workbench ID: 116872
• ChEMBL ID: CHEMBL450558
• Mol file: 148077-10-5.mol

Synonyms:appenolide A

Chemical Property of Appenolide A

Chemical Property:

• Vapor Pressure: 8.96E-08mmHg at 25°C
• Boiling Point: 435.1°Cat760mmHg
• Flash Point: 194.7°C
• PSA: 43.37000
• Density: 1.086g/cm³
• LogP: 2.95540
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 7
• Exact Mass: 236.14124450
• Heavy Atom Count: 17
• Complexity: 351

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(COC1=O)C=CCCCCCC(=O)C
• Isomeric SMILES: CC1=C(COC1=O)/C=C/CCCCCC(=O)C