Appenolide C

Base Information

• Chemical Name: Appenolide C
• CAS No.: 148077-12-7
• Molecular Formula: C14H22 O3
• Molecular Weight: 238.32
• Metabolomics Workbench ID: 116525
• ChEMBL ID: CHEMBL484217
• Mol file: 148077-12-7.mol

Synonyms:appenolide C

Chemical Property of Appenolide C

Chemical Property:

• Vapor Pressure: 2.57E-08mmHg at 25°C
• Boiling Point: 406.9°C at 760 mmHg
• PKA: 15.24±0.20(Predicted)
• Flash Point: 170.2°C
• PSA: 46.53000
• Density: 1.091g/cm³
• LogP: 2.74720
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 7
• Exact Mass: 238.15689456
• Heavy Atom Count: 17
• Complexity: 315

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(CCCCC=CC1=C(C(=O)OC1)C)O
• Isomeric SMILES: CCC(CCCC/C=C/C1=C(C(=O)OC1)C)O