Caperatic acid

Base Information

• Chemical Name: Caperatic acid
• CAS No.: 29227-64-3
• Molecular Formula: C21H38 O7
• Molecular Weight: 0
• DSSTox Substance ID: DTXSID501173376
• Nikkaji Number: J21.581C
• Wikidata: Q77516973
• Metabolomics Workbench ID: 105563
• ChEMBL ID: CHEMBL1553256
• Mol file: 29227-64-3.mol

Synonyms:caperatic acid

Chemical Property of Caperatic acid

Chemical Property:

• Vapor Pressure: 2.35E-14mmHg at 25°C
• Boiling Point: 549.3°C at 760 mmHg
• Flash Point: 180°C
• PSA: 121.13000
• Density: 1.1g/cm³
• LogP: 4.15720
• XLogP3: 5.7
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 19
• Exact Mass: 402.26175355
• Heavy Atom Count: 28
• Complexity: 464

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCCCCC(C(=O)O)C(CC(=O)OC)(C(=O)O)O