Capillartemisin A

Base Information

• Chemical Name: Capillartemisin A
• CAS No.: 85819-52-9
• Molecular Formula: C19H24O4
• Molecular Weight: 316.39
• DSSTox Substance ID: DTXSID101316451
• Nikkaji Number: J1.205.167K
• Wikidata: Q27155278
• ChEMBL ID: CHEMBL4855416
• Mol file: 85819-52-9.mol

Synonyms:capillartemisin A

Chemical Property of Capillartemisin A

Chemical Property:

• Vapor Pressure: 2.87E-11mmHg at 25°C
• Boiling Point: 511.1°C at 760 mmHg
• Flash Point: 277°C
• PSA: 77.76000
• Density: 1.161g/cm³
• LogP: 3.47980
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 316.16745924
• Heavy Atom Count: 23
• Complexity: 472

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=CCC1=C(C(=CC(=C1)C=CC(=O)O)CC=C(C)CO)O)C
• Isomeric SMILES: CC(=CCC1=C(C(=CC(=C1)/C=C/C(=O)O)C/C=C(\C)/CO)O)C

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